3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

C43H27N — CID 126538623

IUPAC3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-40-34(27-29)32-17-7-11-23-39(32)44(40)41-24-12-22-38-42(41)33-18-6-10-21-37(33)43(38)35-19-8-4-15-30(35)31-16-5-9-20-36(31)43/h1-27H
InChIKeyQHZCZKNKIIRUME-UHFFFAOYSA-N
MW557.70 g/mol
LogP10.79
Rot. Bonds2

About 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (PubChem CID 126538623) has the molecular formula C43H27N and a molecular weight of 557.70 g/mol. Its IUPAC name is 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.

Molecular Properties

Compound Name3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
PubChem CID126538623
Molecular FormulaC43H27N
Molecular Weight557.70 g/mol
Exact Mass557.21
IUPAC Name3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-40-34(27-29)32-17-7-11-23-39(32)44(40)41-24-12-22-38-42(41)33-18-6-10-21-37(33)43(38)35-19-8-4-15-30(35)31-16-5-9-20-36(31)43/h1-27H
InChIKeyQHZCZKNKIIRUME-UHFFFAOYSA-N
XLogP10.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 158608032
CID 158608032
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304
CID 118153752
CID 118153752
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590608
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590571
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The IUPAC name of 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (CID 126538623) is 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.
What is the SMILES notation for 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The canonical SMILES for 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The InChIKey is QHZCZKNKIIRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-40-34(27-29)32-17-7-11-23-39(32)44(40)41-24-12-22-38-42(41)33-18-6-10-21-37(33)43(38)35-19-8-4-15-30(35)31-16-5-9-20-36(31)43/h1-27H.
What are the key properties of 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole has a molecular weight of 557.70 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is sourced from PubChem (CID 126538623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).