9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole

C61H42N2 — CID 134407184

IUPAC9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2c3ccccc3N(c3ccc(-c4ccccc4)cc3)C2C1
InChIInChI=1S/C61H42N2/c1-3-15-41(16-4-1)42-27-33-47(34-28-42)62-57-25-13-9-21-51(57)53-39-43(29-37-59(53)62)44-30-38-60-54(40-44)52-22-10-14-26-58(52)63(60)48-35-31-46(32-36-48)61(45-17-5-2-6-18-45)55-23-11-7-19-49(55)50-20-8-12-24-56(50)61/h1-36,38-40,59H,37H2
InChIKeyREFDICWFVIEOQP-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.20
Rot. Bonds6

About 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole

9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole (PubChem CID 134407184) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
PubChem CID134407184
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2c3ccccc3N(c3ccc(-c4ccccc4)cc3)C2C1
InChIInChI=1S/C61H42N2/c1-3-15-41(16-4-1)42-27-33-47(34-28-42)62-57-25-13-9-21-51(57)53-39-43(29-37-59(53)62)44-30-38-60-54(40-44)52-22-10-14-26-58(52)63(60)48-35-31-46(32-36-48)61(45-17-5-2-6-18-45)55-23-11-7-19-49(55)50-20-8-12-24-56(50)61/h1-36,38-40,59H,37H2
InChIKeyREFDICWFVIEOQP-UHFFFAOYSA-N
XLogP15.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[2-[4-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[3-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161306862
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
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-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole
CID 123953451
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole (CID 134407184) is 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole is C1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2c3ccccc3N(c3ccc(-c4ccccc4)cc3)C2C1.
What is the InChIKey of 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is REFDICWFVIEOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-3-15-41(16-4-1)42-27-33-47(34-28-42)62-57-25-13-9-21-51(57)53-39-43(29-37-59(53)62)44-30-38-60-54(40-44)52-22-10-14-26-58(52)63(60)48-35-31-46(32-36-48)61(45-17-5-2-6-18-45)55-23-11-7-19-49(55)50-20-8-12-24-56(50)61/h1-36,38-40,59H,37H2.
What are the key properties of 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole?
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 803.02 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 134407184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).