12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C74H44N2 — CID 90253707

IUPAC12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H44N2/c1-3-19-47(20-4-1)75-67-41-35-45(43-57(67)53-37-39-65-69(71(53)75)55-27-11-17-33-63(55)73(65)59-29-13-7-23-49(59)50-24-8-14-30-60(50)73)46-36-42-68-58(44-46)54-38-40-66-70(72(54)76(68)48-21-5-2-6-22-48)56-28-12-18-34-64(56)74(66)61-31-15-9-25-51(61)52-26-10-16-32-62(52)74/h1-44H
InChIKeyREDXNXQSYUQFQF-UHFFFAOYSA-N
MW961.18 g/mol
LogP18.23
Rot. Bonds3

About 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 90253707) has the molecular formula C74H44N2 and a molecular weight of 961.18 g/mol. Its IUPAC name is 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID90253707
Molecular FormulaC74H44N2
Molecular Weight961.18 g/mol
Exact Mass960.35
IUPAC Name12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H44N2/c1-3-19-47(20-4-1)75-67-41-35-45(43-57(67)53-37-39-65-69(71(53)75)55-27-11-17-33-63(55)73(65)59-29-13-7-23-49(59)50-24-8-14-30-60(50)73)46-36-42-68-58(44-46)54-38-40-66-70(72(54)76(68)48-21-5-2-6-22-48)56-28-12-18-34-64(56)74(66)61-31-15-9-25-51(61)52-26-10-16-32-62(52)74/h1-44H
InChIKeyREDXNXQSYUQFQF-UHFFFAOYSA-N
XLogP18.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.18
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3'-methyl-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253720
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 154602219
12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-3-yl)spiro[benzo[c]fluorene-7,7'-indeno[1,2-a]carbazole]
CID 118613583
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 134594864

Frequently Asked Questions

What is the IUPAC name of 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 90253707) is 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is REDXNXQSYUQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N2/c1-3-19-47(20-4-1)75-67-41-35-45(43-57(67)53-37-39-65-69(71(53)75)55-27-11-17-33-63(55)73(65)59-29-13-7-23-49(59)50-24-8-14-30-60(50)73)46-36-42-68-58(44-46)54-38-40-66-70(72(54)76(68)48-21-5-2-6-22-48)56-28-12-18-34-64(56)74(66)61-31-15-9-25-51(61)52-26-10-16-32-62(52)74/h1-44H.
What are the key properties of 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 961.18 g/mol, XLogP of 18.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 90253707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).