9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine

C62H46N2 — CID 146413776

IUPAC9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
SMILESC1=CCCC(n2c3ccccc3c3ccc(N(C4=CC=C(C5(c6ccccc6)c6ccccc6C6(c7ccccc7)c7ccccc7-c7cccc5c76)CC4)c4ccccc4)cc32)=C1
InChIInChI=1S/C62H46N2/c1-5-20-43(21-6-1)61(55-32-16-17-33-56(55)62(44-22-7-2-8-23-44)54-31-15-13-28-50(54)53-30-19-34-57(61)60(53)62)45-36-38-48(39-37-45)63(46-24-9-3-10-25-46)49-40-41-52-51-29-14-18-35-58(51)64(59(52)42-49)47-26-11-4-12-27-47/h1-11,13-26,28-36,38,40-42H,12,27,37,39H2
InChIKeyGVEVTFNARWVALM-UHFFFAOYSA-N
MW819.06 g/mol
LogP15.44
Rot. Bonds7

About 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine

9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine (PubChem CID 146413776) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
PubChem CID146413776
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC Name9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
SMILESC1=CCCC(n2c3ccccc3c3ccc(N(C4=CC=C(C5(c6ccccc6)c6ccccc6C6(c7ccccc7)c7ccccc7-c7cccc5c76)CC4)c4ccccc4)cc32)=C1
InChIInChI=1S/C62H46N2/c1-5-20-43(21-6-1)61(55-32-16-17-33-56(55)62(44-22-7-2-8-23-44)54-31-15-13-28-50(54)53-30-19-34-57(61)60(53)62)45-36-38-48(39-37-45)63(46-24-9-3-10-25-46)49-40-41-52-51-29-14-18-35-58(51)64(59(52)42-49)47-26-11-4-12-27-47/h1-11,13-26,28-36,38,40-42H,12,27,37,39H2
InChIKeyGVEVTFNARWVALM-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 71249474
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
CID 134171795
CID 134171795
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 145303098
N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
CID 170286545
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
6-carbazol-9-yl-9-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,3-dien-5-yn-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-1-amine
CID 170202355
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 145321954
9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
CID 156664796

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine (CID 146413776) is 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine is C1=CCCC(n2c3ccccc3c3ccc(N(C4=CC=C(C5(c6ccccc6)c6ccccc6C6(c7ccccc7)c7ccccc7-c7cccc5c76)CC4)c4ccccc4)cc32)=C1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine?
The InChIKey is GVEVTFNARWVALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-5-20-43(21-6-1)61(55-32-16-17-33-56(55)62(44-22-7-2-8-23-44)54-31-15-13-28-50(54)53-30-19-34-57(61)60(53)62)45-36-38-48(39-37-45)63(46-24-9-3-10-25-46)49-40-41-52-51-29-14-18-35-58(51)64(59(52)42-49)47-26-11-4-12-27-47/h1-11,13-26,28-36,38,40-42H,12,27,37,39H2.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine?
9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine has a molecular weight of 819.06 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 146413776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).