3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C52H32N2 — CID 130325916

IUPAC3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cccc6n4)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C52H32N2/c1-3-14-35(15-4-1)52(36-16-5-2-6-17-36)45-23-11-9-20-39(45)40-28-26-34(31-46(40)52)33-27-29-49-43(30-33)41-21-10-12-25-48(41)54(49)50-32-44-38-19-8-7-18-37(38)42-22-13-24-47(53-50)51(42)44/h1-32H
InChIKeyHIPXJCOWLHJUQS-UHFFFAOYSA-N
MW684.84 g/mol
LogP13.01
Rot. Bonds4

About 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130325916) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID130325916
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cccc6n4)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C52H32N2/c1-3-14-35(15-4-1)52(36-16-5-2-6-17-36)45-23-11-9-20-39(45)40-28-26-34(31-46(40)52)33-27-29-49-43(30-33)41-21-10-12-25-48(41)54(49)50-32-44-38-19-8-7-18-37(38)42-22-13-24-47(53-50)51(42)44/h1-32H
InChIKeyHIPXJCOWLHJUQS-UHFFFAOYSA-N
XLogP13.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene with MolForge

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Related Compounds

3-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325925
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
3-(3-dibenzothiophen-2-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325912
4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325704
4-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325889
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163871905
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163901716
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130325916) is 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cccc6n4)-c4ccccc4-5)cc32)cc1.
What is the InChIKey of 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is HIPXJCOWLHJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-14-35(15-4-1)52(36-16-5-2-6-17-36)45-23-11-9-20-39(45)40-28-26-34(31-46(40)52)33-27-29-49-43(30-33)41-21-10-12-25-48(41)54(49)50-32-44-38-19-8-7-18-37(38)42-22-13-24-47(53-50)51(42)44/h1-32H.
What are the key properties of 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 684.84 g/mol, XLogP of 13.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130325916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).