11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine

C67H55N3 — CID 89065373

IUPAC11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
SMILESCC1(C)c2cccc3c2N2c4c1cc(N(c1ccccc1)c1cc5ccccc5c5c1C=CCC5)cc4C(C)(C)c1cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc(c12)C3(C)C
InChIInChI=1S/C67H55N3/c1-65(2)54-34-21-35-55-62(54)70-63-56(65)38-46(68(44-24-9-7-10-25-44)60-36-42-22-13-15-28-48(42)50-30-17-19-32-52(50)60)40-58(63)67(5,6)59-41-47(39-57(64(59)70)66(55,3)4)69(45-26-11-8-12-27-45)61-37-43-23-14-16-29-49(43)51-31-18-20-33-53(51)61/h7-17,19-30,32-41H,18,31H2,1-6H3
InChIKeyDSLMQAQNZNGLGQ-UHFFFAOYSA-N
MW902.20 g/mol
LogP18.43
Rot. Bonds6

About 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine

11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine (PubChem CID 89065373) has the molecular formula C67H55N3 and a molecular weight of 902.20 g/mol. Its IUPAC name is 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine.

Molecular Properties

Compound Name11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
PubChem CID89065373
Molecular FormulaC67H55N3
Molecular Weight902.20 g/mol
Exact Mass901.44
IUPAC Name11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
SMILESCC1(C)c2cccc3c2N2c4c1cc(N(c1ccccc1)c1cc5ccccc5c5c1C=CCC5)cc4C(C)(C)c1cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc(c12)C3(C)C
InChIInChI=1S/C67H55N3/c1-65(2)54-34-21-35-55-62(54)70-63-56(65)38-46(68(44-24-9-7-10-25-44)60-36-42-22-13-15-28-48(42)50-30-17-19-32-52(50)60)40-58(63)67(5,6)59-41-47(39-57(64(59)70)66(55,3)4)69(45-26-11-8-12-27-45)61-37-43-23-14-16-29-49(43)51-31-18-20-33-53(51)61/h7-17,19-30,32-41H,18,31H2,1-6H3
InChIKeyDSLMQAQNZNGLGQ-UHFFFAOYSA-N
XLogP18.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.20
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine with MolForge

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Related Compounds

6-N-(5,6-dihydrophenanthren-9-yl)-12-N-phenanthren-9-yl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 89187245
8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 158487565
12-N-cyclohexa-1,3-dien-1-yl-6-N,6-N,12-N-triphenyl-3,4-dihydrochrysene-6,12-diamine
CID 89065106
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 70885891
N-(4-tert-butylphenyl)-8-naphthalen-2-yl-N-phenyl-9,10-dihydrobenzo[c]phenanthren-5-amine
CID 89086165
14,14-dimethyl-N-phenanthren-9-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170657006
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine
CID 144809799
N,N-diphenyl-3,4-dihydrochrysen-6-amine
CID 89056693
7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine
CID 58489850
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477

Frequently Asked Questions

What is the IUPAC name of 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine?
The IUPAC name of 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine (CID 89065373) is 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine.
What is the SMILES notation for 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine?
The canonical SMILES for 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine is CC1(C)c2cccc3c2N2c4c1cc(N(c1ccccc1)c1cc5ccccc5c5c1C=CCC5)cc4C(C)(C)c1cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc(c12)C3(C)C.
What is the InChIKey of 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine?
The InChIKey is DSLMQAQNZNGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55N3/c1-65(2)54-34-21-35-55-62(54)70-63-56(65)38-46(68(44-24-9-7-10-25-44)60-36-42-22-13-15-28-48(42)50-30-17-19-32-52(50)60)40-58(63)67(5,6)59-41-47(39-57(64(59)70)66(55,3)4)69(45-26-11-8-12-27-45)61-37-43-23-14-16-29-49(43)51-31-18-20-33-53(51)61/h7-17,19-30,32-41H,18,31H2,1-6H3.
What are the key properties of 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine?
11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine has a molecular weight of 902.20 g/mol, XLogP of 18.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine is sourced from PubChem (CID 89065373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).