3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C61H38N2O — CID 118614731

IUPAC3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-39(16-4-1)41-27-35-55-48(37-41)45-19-8-12-24-54(45)62(55)43-29-31-44(32-30-43)63-56-36-28-42(40-17-5-2-6-18-40)38-49(56)46-33-34-53-59(60(46)63)47-20-7-9-21-50(47)61(53)51-22-10-13-25-57(51)64-58-26-14-11-23-52(58)61/h1-38H
InChIKeyYFKAWCMQCXXNEO-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.68
Rot. Bonds4

About 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 118614731) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID118614731
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC Name3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-39(16-4-1)41-27-35-55-48(37-41)45-19-8-12-24-54(45)62(55)43-29-31-44(32-30-43)63-56-36-28-42(40-17-5-2-6-18-40)38-49(56)46-33-34-53-59(60(46)63)47-20-7-9-21-50(47)61(53)51-22-10-13-25-57(51)64-58-26-14-11-23-52(58)61/h1-38H
InChIKeyYFKAWCMQCXXNEO-UHFFFAOYSA-N
XLogP15.68
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
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
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
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
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[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 163986204
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 118614731) is 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is YFKAWCMQCXXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-3-15-39(16-4-1)41-27-35-55-48(37-41)45-19-8-12-24-54(45)62(55)43-29-31-44(32-30-43)63-56-36-28-42(40-17-5-2-6-18-40)38-49(56)46-33-34-53-59(60(46)63)47-20-7-9-21-50(47)61(53)51-22-10-13-25-57(51)64-58-26-14-11-23-52(58)61/h1-38H.
What are the key properties of 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 814.99 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).