12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C53H32N4 — CID 147774420

IUPAC12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccncc6c6ccncc65)cc4)cc3)c21
InChIInChI=1S/C53H32N4/c1-5-13-44-37(9-1)38-10-2-6-14-45(38)53(44)46-15-7-3-12-42(46)51-47(53)26-25-41-39-11-4-8-16-48(39)57(52(41)51)36-23-19-34(20-24-36)33-17-21-35(22-18-33)56-49-28-30-54-31-43(49)40-27-29-55-32-50(40)56/h1-32H
InChIKeyHGOAYNKHYQZOQJ-UHFFFAOYSA-N
MW724.87 g/mol
LogP12.68
Rot. Bonds3

About 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 147774420) has the molecular formula C53H32N4 and a molecular weight of 724.87 g/mol. Its IUPAC name is 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID147774420
Molecular FormulaC53H32N4
Molecular Weight724.87 g/mol
Exact Mass724.26
IUPAC Name12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccncc6c6ccncc65)cc4)cc3)c21
InChIInChI=1S/C53H32N4/c1-5-13-44-37(9-1)38-10-2-6-14-45(38)53(44)46-15-7-3-12-42(46)51-47(53)26-25-41-39-11-4-8-16-48(39)57(52(41)51)36-23-19-34(20-24-36)33-17-21-35(22-18-33)56-49-28-30-54-31-43(49)40-27-29-55-32-50(40)56/h1-32H
InChIKeyHGOAYNKHYQZOQJ-UHFFFAOYSA-N
XLogP12.68
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.87
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
CID 163730968
9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 163900379
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
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
CID 134551739
CID 134551739
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 163860738
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-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710

Frequently Asked Questions

What is the IUPAC name of 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 147774420) is 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccncc6c6ccncc65)cc4)cc3)c21.
What is the InChIKey of 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is HGOAYNKHYQZOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4/c1-5-13-44-37(9-1)38-10-2-6-14-45(38)53(44)46-15-7-3-12-42(46)51-47(53)26-25-41-39-11-4-8-16-48(39)57(52(41)51)36-23-19-34(20-24-36)33-17-21-35(22-18-33)56-49-28-30-54-31-43(49)40-27-29-55-32-50(40)56/h1-32H.
What are the key properties of 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 724.87 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 147774420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).