3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole

C69H49N — CID 123808425

IUPAC3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C69H49N/c1-6-20-49(21-7-1)51-36-34-48(35-37-51)46-62(53-40-38-52(39-41-53)50-22-8-2-9-23-50)60-44-43-58(54-42-45-66-63(47-54)59-30-17-19-33-65(59)70(66)57-28-14-5-15-29-57)68-67(60)61-31-16-18-32-64(61)69(68,55-24-10-3-11-25-55)56-26-12-4-13-27-56/h1-45,47,62H,46H2
InChIKeyWZXUOHKXSLWKMV-UHFFFAOYSA-N
MW892.16 g/mol
LogP17.52
Rot. Bonds10

About 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole

3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole (PubChem CID 123808425) has the molecular formula C69H49N and a molecular weight of 892.16 g/mol. Its IUPAC name is 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
PubChem CID123808425
Molecular FormulaC69H49N
Molecular Weight892.16 g/mol
Exact Mass891.39
IUPAC Name3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C69H49N/c1-6-20-49(21-7-1)51-36-34-48(35-37-51)46-62(53-40-38-52(39-41-53)50-22-8-2-9-23-50)60-44-43-58(54-42-45-66-63(47-54)59-30-17-19-33-65(59)70(66)57-28-14-5-15-29-57)68-67(60)61-31-16-18-32-64(61)69(68,55-24-10-3-11-25-55)56-26-12-4-13-27-56/h1-45,47,62H,46H2
InChIKeyWZXUOHKXSLWKMV-UHFFFAOYSA-N
XLogP17.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
CID 144639975
9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole
CID 137468969
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-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 157192267
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole (CID 123808425) is 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole is c1ccc(-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole?
The InChIKey is WZXUOHKXSLWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N/c1-6-20-49(21-7-1)51-36-34-48(35-37-51)46-62(53-40-38-52(39-41-53)50-22-8-2-9-23-50)60-44-43-58(54-42-45-66-63(47-54)59-30-17-19-33-65(59)70(66)57-28-14-5-15-29-57)68-67(60)61-31-16-18-32-64(61)69(68,55-24-10-3-11-25-55)56-26-12-4-13-27-56/h1-45,47,62H,46H2.
What are the key properties of 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole?
3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole has a molecular weight of 892.16 g/mol, XLogP of 17.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 123808425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).