12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine

C76H60N2 — CID 59147802

IUPAC12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine
SMILESCC1(C)c2ccc3c(-c4ccc5c6c7c(ccc46)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)cc6ccc(c-7c46)C5(C)C)ccc4c3c2-c2c(ccc3cc(N(c5ccccc5)c5ccccc5)cc1c23)C4(C)C
InChIInChI=1S/C76H60N2/c1-73(2)57-37-31-53(55-33-39-61-71(67(55)57)69-59(73)35-29-45-41-51(43-63(65(45)69)75(61,5)6)77(47-21-13-9-14-22-47)48-23-15-10-16-24-48)54-32-38-58-68-56(54)34-40-62-72(68)70-60(74(58,3)4)36-30-46-42-52(44-64(66(46)70)76(62,7)8)78(49-25-17-11-18-26-49)50-27-19-12-20-28-50/h9-44H,1-8H3
InChIKeyDYRFXXTYQCLYPB-UHFFFAOYSA-N
MW1001.33 g/mol
LogP20.80
Rot. Bonds7

About 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine

12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine (PubChem CID 59147802) has the molecular formula C76H60N2 and a molecular weight of 1001.33 g/mol. Its IUPAC name is 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine.

Molecular Properties

Compound Name12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine
PubChem CID59147802
Molecular FormulaC76H60N2
Molecular Weight1001.33 g/mol
Exact Mass1000.48
IUPAC Name12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine
SMILESCC1(C)c2ccc3c(-c4ccc5c6c7c(ccc46)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)cc6ccc(c-7c46)C5(C)C)ccc4c3c2-c2c(ccc3cc(N(c5ccccc5)c5ccccc5)cc1c23)C4(C)C
InChIInChI=1S/C76H60N2/c1-73(2)57-37-31-53(55-33-39-61-71(67(55)57)69-59(73)35-29-45-41-51(43-63(65(45)69)75(61,5)6)77(47-21-13-9-14-22-47)48-23-15-10-16-24-48)54-32-38-58-68-56(54)34-40-62-72(68)70-60(74(58,3)4)36-30-46-42-52(44-64(66(46)70)76(62,7)8)78(49-25-17-11-18-26-49)50-27-19-12-20-28-50/h9-44H,1-8H3
InChIKeyDYRFXXTYQCLYPB-UHFFFAOYSA-N
XLogP20.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.33
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-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

13,13,18,18-tetramethyl-8-N,8-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155359969
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-17-amine
CID 130289772
N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
CID 163949836
15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 159717494
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
CID 170410631
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
8-N,22-N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-8-N,22-N-diphenyl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 159152626
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677

Frequently Asked Questions

What is the IUPAC name of 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine?
The IUPAC name of 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine (CID 59147802) is 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine.
What is the SMILES notation for 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine?
The canonical SMILES for 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine is CC1(C)c2ccc3c(-c4ccc5c6c7c(ccc46)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)cc6ccc(c-7c46)C5(C)C)ccc4c3c2-c2c(ccc3cc(N(c5ccccc5)c5ccccc5)cc1c23)C4(C)C.
What is the InChIKey of 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine?
The InChIKey is DYRFXXTYQCLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N2/c1-73(2)57-37-31-53(55-33-39-61-71(67(55)57)69-59(73)35-29-45-41-51(43-63(65(45)69)75(61,5)6)77(47-21-13-9-14-22-47)48-23-15-10-16-24-48)54-32-38-58-68-56(54)34-40-62-72(68)70-60(74(58,3)4)36-30-46-42-52(44-64(66(46)70)76(62,7)8)78(49-25-17-11-18-26-49)50-27-19-12-20-28-50/h9-44H,1-8H3.
What are the key properties of 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine?
12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine has a molecular weight of 1001.33 g/mol, XLogP of 20.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine is sourced from PubChem (CID 59147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).