5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

C73H44N4 — CID 90337261

IUPAC5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-6)c5ccccc5-c5cc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6cc54)cc32)cc1
InChIInChI=1S/C73H44N4/c1-3-19-45(20-4-1)74-65-31-15-9-25-51(65)55-37-35-47(39-69(55)74)76-67-33-17-11-27-53(67)59-41-57-49-23-7-13-29-61(49)73(63(57)43-71(59)76)62-30-14-8-24-50(62)58-42-60-54-28-12-18-34-68(54)77(72(60)44-64(58)73)48-36-38-56-52-26-10-16-32-66(52)75(70(56)40-48)46-21-5-2-6-22-46/h1-44H
InChIKeyZGAPFNXPLHNMTB-UHFFFAOYSA-N
MW977.18 g/mol
LogP18.42
Rot. Bonds4

About 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (PubChem CID 90337261) has the molecular formula C73H44N4 and a molecular weight of 977.18 g/mol. Its IUPAC name is 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
PubChem CID90337261
Molecular FormulaC73H44N4
Molecular Weight977.18 g/mol
Exact Mass976.36
IUPAC Name5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-6)c5ccccc5-c5cc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6cc54)cc32)cc1
InChIInChI=1S/C73H44N4/c1-3-19-45(20-4-1)74-65-31-15-9-25-51(65)55-37-35-47(39-69(55)74)76-67-33-17-11-27-53(67)59-41-57-49-23-7-13-29-61(49)73(63(57)43-71(59)76)62-30-14-8-24-50(62)58-42-60-54-28-12-18-34-68(54)77(72(60)44-64(58)73)48-36-38-56-52-26-10-16-32-66(52)75(70(56)40-48)46-21-5-2-6-22-46/h1-44H
InChIKeyZGAPFNXPLHNMTB-UHFFFAOYSA-N
XLogP18.42
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.18
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
CID 134551673
CID 134551673
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
CID 159973440
CID 159973440
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005

Frequently Asked Questions

What is the IUPAC name of 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The IUPAC name of 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (CID 90337261) is 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].
What is the SMILES notation for 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The canonical SMILES for 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-6)c5ccccc5-c5cc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6cc54)cc32)cc1.
What is the InChIKey of 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The InChIKey is ZGAPFNXPLHNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N4/c1-3-19-45(20-4-1)74-65-31-15-9-25-51(65)55-37-35-47(39-69(55)74)76-67-33-17-11-27-53(67)59-41-57-49-23-7-13-29-61(49)73(63(57)43-71(59)76)62-30-14-8-24-50(62)58-42-60-54-28-12-18-34-68(54)77(72(60)44-64(58)73)48-36-38-56-52-26-10-16-32-66(52)75(70(56)40-48)46-21-5-2-6-22-46/h1-44H.
What are the key properties of 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] has a molecular weight of 977.18 g/mol, XLogP of 18.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is sourced from PubChem (CID 90337261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).