2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C64H40N2 — CID 130325739

IUPAC2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ncc6cccc7c6c5-c5ccccc5-7)c4)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C64H40N2/c1-4-19-47(20-5-1)64(48-21-6-2-7-22-48)57-29-13-12-26-51(57)52-33-30-44(39-58(52)64)43-32-35-60-56(38-43)55-37-42(31-34-59(55)66(60)49-23-8-3-9-24-49)41-16-14-17-45(36-41)63-62-54-27-11-10-25-50(54)53-28-15-18-46(40-65-63)61(53)62/h1-40H
InChIKeyZYBOUQKJFPHJMO-UHFFFAOYSA-N
MW837.04 g/mol
LogP16.34
Rot. Bonds6

About 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 130325739) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID130325739
Molecular FormulaC64H40N2
Molecular Weight837.04 g/mol
Exact Mass836.32
IUPAC Name2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ncc6cccc7c6c5-c5ccccc5-7)c4)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C64H40N2/c1-4-19-47(20-5-1)64(48-21-6-2-7-22-48)57-29-13-12-26-51(57)52-33-30-44(39-58(52)64)43-32-35-60-56(38-43)55-37-42(31-34-59(55)66(60)49-23-8-3-9-24-49)41-16-14-17-45(36-41)63-62-54-27-11-10-25-50(54)53-28-15-18-46(40-65-63)61(53)62/h1-40H
InChIKeyZYBOUQKJFPHJMO-UHFFFAOYSA-N
XLogP16.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

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
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
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325745
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
7-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-10-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 134370705
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 130325739) is 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-n2c3ccc(-c4cccc(-c5ncc6cccc7c6c5-c5ccccc5-7)c4)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is ZYBOUQKJFPHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-4-19-47(20-5-1)64(48-21-6-2-7-22-48)57-29-13-12-26-51(57)52-33-30-44(39-58(52)64)43-32-35-60-56(38-43)55-37-42(31-34-59(55)66(60)49-23-8-3-9-24-49)41-16-14-17-45(36-41)63-62-54-27-11-10-25-50(54)53-28-15-18-46(40-65-63)61(53)62/h1-40H.
What are the key properties of 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 837.04 g/mol, XLogP of 16.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 130325739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).