3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole

C45H28N2 — CID 118316120

IUPAC3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C45H28N2/c1-2-12-30(13-3-1)46-25-24-29-26-44-37(28-43(29)46)36-17-7-11-21-42(36)47(44)31-22-23-35-34-16-6-10-20-40(34)45(41(35)27-31)38-18-8-4-14-32(38)33-15-5-9-19-39(33)45/h1-28H
InChIKeyKFTKGTXQPGYDKB-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.07
Rot. Bonds2

About 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole

3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole (PubChem CID 118316120) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
PubChem CID118316120
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C45H28N2/c1-2-12-30(13-3-1)46-25-24-29-26-44-37(28-43(29)46)36-17-7-11-21-42(36)47(44)31-22-23-35-34-16-6-10-20-40(34)45(41(35)27-31)38-18-8-4-14-32(38)33-15-5-9-19-39(33)45/h1-28H
InChIKeyKFTKGTXQPGYDKB-UHFFFAOYSA-N
XLogP11.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole
CID 157152386
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
CID 134551673
CID 134551673
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
CID 134551753
CID 134551753
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole (CID 118316120) is 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole?
The InChIKey is KFTKGTXQPGYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-12-30(13-3-1)46-25-24-29-26-44-37(28-43(29)46)36-17-7-11-21-42(36)47(44)31-22-23-35-34-16-6-10-20-40(34)45(41(35)27-31)38-18-8-4-14-32(38)33-15-5-9-19-39(33)45/h1-28H.
What are the key properties of 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole?
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole has a molecular weight of 596.73 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 118316120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).