1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)

C162H177N3O — CID 158502720

IUPAC1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2
InChIInChI=1S/C44H52N2.C29H26.C24H25NO.2C24H28.C17H18/c1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;2*1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h13-28H,1-12H3;5-18H,1-4H3;7-16H,4-6H2,1-3H3;2*5-10,17-18H,11-14H2,1-4H3;5-10H,1-4H3
InChIKeyHKCANOHRTODPMU-UHFFFAOYSA-N
MW2182.22 g/mol
LogP44.83
Rot. Bonds12

About 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) (PubChem CID 158502720) has the molecular formula C162H177N3O and a molecular weight of 2182.22 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene).

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
PubChem CID158502720
Molecular FormulaC162H177N3O
Molecular Weight2182.22 g/mol
Exact Mass2180.39
IUPAC Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2
InChIInChI=1S/C44H52N2.C29H26.C24H25NO.2C24H28.C17H18/c1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;2*1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h13-28H,1-12H3;5-18H,1-4H3;7-16H,4-6H2,1-3H3;2*5-10,17-18H,11-14H2,1-4H3;5-10H,1-4H3
InChIKeyHKCANOHRTODPMU-UHFFFAOYSA-N
XLogP44.83
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002182.22
LogP ≤ 544.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene
CID 158206312
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
CID 158357425
16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine
CID 158250325
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene
CID 162146851
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;2,7,9,9-tetramethylfluorene
CID 160577625
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
4-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-4-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-1,4-diamine
CID 140553757
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480532
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene
CID 157113684

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)?
The IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) (CID 158502720) is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene).
What is the SMILES notation for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)?
The canonical SMILES for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) is CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.
What is the InChIKey of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)?
The InChIKey is HKCANOHRTODPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2.C29H26.C24H25NO.2C24H28.C17H18/c1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;2*1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h13-28H,1-12H3;5-18H,1-4H3;7-16H,4-6H2,1-3H3;2*5-10,17-18H,11-14H2,1-4H3;5-10H,1-4H3.
What are the key properties of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)?
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) has a molecular weight of 2182.22 g/mol, XLogP of 44.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene) is sourced from PubChem (CID 158502720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).