9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C92H84N2 — CID 155360000

IUPAC9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C92H84N2/c1-87(2,3)65-35-45-73(46-36-65)93(74-47-37-66(38-48-74)88(4,5)6)77-43-33-61-55-79-81-59-82-80-56-62-34-44-78(94(75-49-39-67(40-50-75)89(7,8)9)76-51-41-68(42-52-76)90(10,11)12)54-64(62)58-84(80)92(71-29-21-15-22-30-71,72-31-23-16-24-32-72)86(82)60-85(81)91(69-25-17-13-18-26-69,70-27-19-14-20-28-70)83(79)57-63(61)53-77/h13-60H,1-12H3
InChIKeyWYHYRYRWMZYLBB-UHFFFAOYSA-N
MW1217.70 g/mol
LogP24.85
Rot. Bonds10

About 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155360000) has the molecular formula C92H84N2 and a molecular weight of 1217.70 g/mol. Its IUPAC name is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
PubChem CID155360000
Molecular FormulaC92H84N2
Molecular Weight1217.70 g/mol
Exact Mass1216.66
IUPAC Name9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C92H84N2/c1-87(2,3)65-35-45-73(46-36-65)93(74-47-37-66(38-48-74)88(4,5)6)77-43-33-61-55-79-81-59-82-80-56-62-34-44-78(94(75-49-39-67(40-50-75)89(7,8)9)76-51-41-68(42-52-76)90(10,11)12)54-64(62)58-84(80)92(71-29-21-15-22-30-71,72-31-23-16-24-32-72)86(82)60-85(81)91(69-25-17-13-18-26-69,70-27-19-14-20-28-70)83(79)57-63(61)53-77/h13-60H,1-12H3
InChIKeyWYHYRYRWMZYLBB-UHFFFAOYSA-N
XLogP24.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.70
LogP ≤ 524.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine with MolForge

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Related Compounds

8-N,8-N,23-N,23-N,13,13,28,28-octakis-phenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361342
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(4-tert-butylphenyl)-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494996
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155359768
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
9-N,23-N,14,14,18,18-hexakis-phenyl-9-N,23-N-bis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N,14,14,18,18-hexakis-phenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetraphenyl-9-N,9-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 160813552
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 157364390
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155360000) is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2-4)-c2cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is WYHYRYRWMZYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H84N2/c1-87(2,3)65-35-45-73(46-36-65)93(74-47-37-66(38-48-74)88(4,5)6)77-43-33-61-55-79-81-59-82-80-56-62-34-44-78(94(75-49-39-67(40-50-75)89(7,8)9)76-51-41-68(42-52-76)90(10,11)12)54-64(62)58-84(80)92(71-29-21-15-22-30-71,72-31-23-16-24-32-72)86(82)60-85(81)91(69-25-17-13-18-26-69,70-27-19-14-20-28-70)83(79)57-63(61)53-77/h13-60H,1-12H3.
What are the key properties of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 1217.70 g/mol, XLogP of 24.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155360000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).