7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole

C49H30N2 — CID 122595613

IUPAC7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C49H30N2/c1-2-14-31(15-3-1)50-45-24-12-7-19-37(45)39-29-40-38-20-8-13-25-46(38)51(48(40)30-47(39)50)32-26-27-36-35-18-6-11-23-43(35)49(44(36)28-32)41-21-9-4-16-33(41)34-17-5-10-22-42(34)49/h1-30H
InChIKeyMRWBVPVERDAXJA-UHFFFAOYSA-N
MW646.79 g/mol
LogP12.22
Rot. Bonds2

About 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole

7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole (PubChem CID 122595613) has the molecular formula C49H30N2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
PubChem CID122595613
Molecular FormulaC49H30N2
Molecular Weight646.79 g/mol
Exact Mass646.24
IUPAC Name7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C49H30N2/c1-2-14-31(15-3-1)50-45-24-12-7-19-37(45)39-29-40-38-20-8-13-25-46(38)51(48(40)30-47(39)50)32-26-27-36-35-18-6-11-23-43(35)49(44(36)28-32)41-21-9-4-16-33(41)34-17-5-10-22-42(34)49/h1-30H
InChIKeyMRWBVPVERDAXJA-UHFFFAOYSA-N
XLogP12.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
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
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
CID 118316120
2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606955
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
CID 134551753
CID 134551753
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
CID 134551673
CID 134551673
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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole (CID 122595613) is 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4cc32)cc1.
What is the InChIKey of 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole?
The InChIKey is MRWBVPVERDAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2/c1-2-14-31(15-3-1)50-45-24-12-7-19-37(45)39-29-40-38-20-8-13-25-46(38)51(48(40)30-47(39)50)32-26-27-36-35-18-6-11-23-43(35)49(44(36)28-32)41-21-9-4-16-33(41)34-17-5-10-22-42(34)49/h1-30H.
What are the key properties of 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole?
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole has a molecular weight of 646.79 g/mol, XLogP of 12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 122595613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).