17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

C53H36N2 — CID 166033638

IUPAC17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3cc4cc(-n6c7ccccc7c7ccccc76)ccc4cc3-5)cccc21
InChIInChI=1S/C53H36N2/c1-53(2)47-18-9-6-17-42(47)52-48(53)19-12-22-51(52)54(37-13-4-3-5-14-37)38-25-23-33-29-43-44-30-34-24-26-39(28-36(34)32-46(44)45(43)31-35(33)27-38)55-49-20-10-7-15-40(49)41-16-8-11-21-50(41)55/h3-32H,1-2H3
InChIKeyGDLIWXQBKQKJNW-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.51
Rot. Bonds4

About 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (PubChem CID 166033638) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.

Molecular Properties

Compound Name17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
PubChem CID166033638
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3cc4cc(-n6c7ccccc7c7ccccc76)ccc4cc3-5)cccc21
InChIInChI=1S/C53H36N2/c1-53(2)47-18-9-6-17-42(47)52-48(53)19-12-22-51(52)54(37-13-4-3-5-14-37)38-25-23-33-29-43-44-30-34-24-26-39(28-36(34)32-46(44)45(43)31-35(33)27-38)55-49-20-10-7-15-40(49)41-16-8-11-21-50(41)55/h3-32H,1-2H3
InChIKeyGDLIWXQBKQKJNW-UHFFFAOYSA-N
XLogP14.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N,9-diphenylcarbazol-4-amine
CID 156554164
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139567875
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,9-diphenylcarbazol-1-amine
CID 166032412
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858

Frequently Asked Questions

What is the IUPAC name of 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The IUPAC name of 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (CID 166033638) is 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.
What is the SMILES notation for 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The canonical SMILES for 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3cc4cc(-n6c7ccccc7c7ccccc76)ccc4cc3-5)cccc21.
What is the InChIKey of 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The InChIKey is GDLIWXQBKQKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-53(2)47-18-9-6-17-42(47)52-48(53)19-12-22-51(52)54(37-13-4-3-5-14-37)38-25-23-33-29-43-44-30-34-24-26-39(28-36(34)32-46(44)45(43)31-35(33)27-38)55-49-20-10-7-15-40(49)41-16-8-11-21-50(41)55/h3-32H,1-2H3.
What are the key properties of 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine has a molecular weight of 700.89 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is sourced from PubChem (CID 166033638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).