9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole

C53H33N — CID 138623650

IUPAC9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C53H33N/c1-3-13-34(14-4-1)37-23-26-48-43(30-37)41-19-9-11-21-47(41)53(48)49-27-24-38(31-44(49)45-29-35-15-7-8-16-36(35)33-50(45)53)39-25-28-52-46(32-39)42-20-10-12-22-51(42)54(52)40-17-5-2-6-18-40/h1-33H
InChIKeyYZAUDNCHDYZVGK-UHFFFAOYSA-N
MW683.85 g/mol
LogP13.61
Rot. Bonds3

About 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole

9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole (PubChem CID 138623650) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
PubChem CID138623650
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC Name9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C53H33N/c1-3-13-34(14-4-1)37-23-26-48-43(30-37)41-19-9-11-21-47(41)53(48)49-27-24-38(31-44(49)45-29-35-15-7-8-16-36(35)33-50(45)53)39-25-28-52-46(32-39)42-20-10-12-22-51(42)54(52)40-17-5-2-6-18-40/h1-33H
InChIKeyYZAUDNCHDYZVGK-UHFFFAOYSA-N
XLogP13.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
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
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
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
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole?
The IUPAC name of 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole (CID 138623650) is 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole is c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole?
The InChIKey is YZAUDNCHDYZVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N/c1-3-13-34(14-4-1)37-23-26-48-43(30-37)41-19-9-11-21-47(41)53(48)49-27-24-38(31-44(49)45-29-35-15-7-8-16-36(35)33-50(45)53)39-25-28-52-46(32-39)42-20-10-12-22-51(42)54(52)40-17-5-2-6-18-40/h1-33H.
What are the key properties of 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole?
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole has a molecular weight of 683.85 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole is sourced from PubChem (CID 138623650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).