5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

C151H175N3 — CID 159079305

IUPAC5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3N(c3ccc(CCCC)cc3)c3cc4c(cc32)N(c2ccc(CCCC)cc2)c2ccc(C)cc2C4(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C90H108N2.C39H46.C22H21N/c1-9-15-21-25-31-71-37-49-75(50-38-71)89(76-51-39-72(40-52-76)32-26-22-16-10-2)81-63-67(7)35-61-85(81)91(79-57-45-69(46-58-79)29-19-13-5)87-66-84-88(65-83(87)89)92(80-59-47-70(48-60-80)30-20-14-6)86-62-36-68(8)64-82(86)90(84,77-53-41-73(42-54-77)33-27-23-17-11-3)78-55-43-74(44-56-78)34-28-24-18-12-4;1-5-7-9-11-15-31-17-13-19-33(27-31)39(34-20-14-18-32(28-34)16-12-10-8-6-2)37-25-29(3)21-23-35(37)36-24-22-30(4)26-38(36)39;1-16-3-10-20(11-4-16)23(21-12-5-17(2)6-13-21)22-14-9-18-7-8-19(18)15-22/h35-66H,9-34H2,1-8H3;13-14,17-28H,5-12,15-16H2,1-4H3;3-6,9-15H,7-8H2,1-2H3
InChIKeyKAQQZAIRVDWCCM-UHFFFAOYSA-N
MW2032.08 g/mol
LogP42.60
Rot. Bonds47

About 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (PubChem CID 159079305) has the molecular formula C151H175N3 and a molecular weight of 2032.08 g/mol. Its IUPAC name is 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.

Molecular Properties

Compound Name5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
PubChem CID159079305
Molecular FormulaC151H175N3
Molecular Weight2032.08 g/mol
Exact Mass2030.38
IUPAC Name5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3N(c3ccc(CCCC)cc3)c3cc4c(cc32)N(c2ccc(CCCC)cc2)c2ccc(C)cc2C4(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C90H108N2.C39H46.C22H21N/c1-9-15-21-25-31-71-37-49-75(50-38-71)89(76-51-39-72(40-52-76)32-26-22-16-10-2)81-63-67(7)35-61-85(81)91(79-57-45-69(46-58-79)29-19-13-5)87-66-84-88(65-83(87)89)92(80-59-47-70(48-60-80)30-20-14-6)86-62-36-68(8)64-82(86)90(84,77-53-41-73(42-54-77)33-27-23-17-11-3)78-55-43-74(44-56-78)34-28-24-18-12-4;1-5-7-9-11-15-31-17-13-19-33(27-31)39(34-20-14-18-32(28-34)16-12-10-8-6-2)37-25-29(3)21-23-35(37)36-24-22-30(4)26-38(36)39;1-16-3-10-20(11-4-16)23(21-12-5-17(2)6-13-21)22-14-9-18-7-8-19(18)15-22/h35-66H,9-34H2,1-8H3;13-14,17-28H,5-12,15-16H2,1-4H3;3-6,9-15H,7-8H2,1-2H3
InChIKeyKAQQZAIRVDWCCM-UHFFFAOYSA-N
XLogP42.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds47
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002032.08
LogP ≤ 542.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine 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

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
12,16,16,20-tetrakis(4-butylphenyl)-8,24-dimethyl-5,5,27,27-tetraphenyl-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
CID 89181793
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
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
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 173464840
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
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
N-[4-[7-[9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[4-[4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(3-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
CID 58281924

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The IUPAC name of 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (CID 159079305) is 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.
What is the SMILES notation for 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The canonical SMILES for 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3N(c3ccc(CCCC)cc3)c3cc4c(cc32)N(c2ccc(CCCC)cc2)c2ccc(C)cc2C4(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)CC3)cc1.
What is the InChIKey of 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The InChIKey is KAQQZAIRVDWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H108N2.C39H46.C22H21N/c1-9-15-21-25-31-71-37-49-75(50-38-71)89(76-51-39-72(40-52-76)32-26-22-16-10-2)81-63-67(7)35-61-85(81)91(79-57-45-69(46-58-79)29-19-13-5)87-66-84-88(65-83(87)89)92(80-59-47-70(48-60-80)30-20-14-6)86-62-36-68(8)64-82(86)90(84,77-53-41-73(42-54-77)33-27-23-17-11-3)78-55-43-74(44-56-78)34-28-24-18-12-4;1-5-7-9-11-15-31-17-13-19-33(27-31)39(34-20-14-18-32(28-34)16-12-10-8-6-2)37-25-29(3)21-23-35(37)36-24-22-30(4)26-38(36)39;1-16-3-10-20(11-4-16)23(21-12-5-17(2)6-13-21)22-14-9-18-7-8-19(18)15-22/h35-66H,9-34H2,1-8H3;13-14,17-28H,5-12,15-16H2,1-4H3;3-6,9-15H,7-8H2,1-2H3.
What are the key properties of 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine has a molecular weight of 2032.08 g/mol, XLogP of 42.60, 47 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is sourced from PubChem (CID 159079305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).