7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C69H47N3 — CID 118188086

IUPAC7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C69H47N3/c1-69(2)62-42-48(49-40-60-57-20-10-13-23-65(57)72-66-24-14-11-21-58(66)61(41-49)68(60)72)29-36-54(62)55-37-35-53(43-63(55)69)70(51-31-25-45(26-32-51)44-15-5-3-6-16-44)52-33-27-46(28-34-52)47-30-38-67-59(39-47)56-19-9-12-22-64(56)71(67)50-17-7-4-8-18-50/h3-43H,1-2H3
InChIKeyDASGNAYYLJZOFN-UHFFFAOYSA-N
MW918.16 g/mol
LogP18.71
Rot. Bonds7

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118188086) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID118188086
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C69H47N3/c1-69(2)62-42-48(49-40-60-57-20-10-13-23-65(57)72-66-24-14-11-21-58(66)61(41-49)68(60)72)29-36-54(62)55-37-35-53(43-63(55)69)70(51-31-25-45(26-32-51)44-15-5-3-6-16-44)52-33-27-46(28-34-52)47-30-38-67-59(39-47)56-19-9-12-22-64(56)71(67)50-17-7-4-8-18-50/h3-43H,1-2H3
InChIKeyDASGNAYYLJZOFN-UHFFFAOYSA-N
XLogP18.71
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186998
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118187004
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 118188086) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is DASGNAYYLJZOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-69(2)62-42-48(49-40-60-57-20-10-13-23-65(57)72-66-24-14-11-21-58(66)61(41-49)68(60)72)29-36-54(62)55-37-35-53(43-63(55)69)70(51-31-25-45(26-32-51)44-15-5-3-6-16-44)52-33-27-46(28-34-52)47-30-38-67-59(39-47)56-19-9-12-22-64(56)71(67)50-17-7-4-8-18-50/h3-43H,1-2H3.
What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 918.16 g/mol, XLogP of 18.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118188086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).