8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole

C41H30N2 — CID 121274991

IUPAC8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C41H30N2/c1-41(2)35-17-9-6-16-33(35)40-39(41)34-26-28(22-25-38(34)43(40)29-12-4-3-5-13-29)27-20-23-30(24-21-27)42-36-18-10-7-14-31(36)32-15-8-11-19-37(32)42/h3-26H,1-2H3
InChIKeyQDWHRYRDNILSID-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.70
Rot. Bonds3

About 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole

8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole (PubChem CID 121274991) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole.

Molecular Properties

Compound Name8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
PubChem CID121274991
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C41H30N2/c1-41(2)35-17-9-6-16-33(35)40-39(41)34-26-28(22-25-38(34)43(40)29-12-4-3-5-13-29)27-20-23-30(24-21-27)42-36-18-10-7-14-31(36)32-15-8-11-19-37(32)42/h3-26H,1-2H3
InChIKeyQDWHRYRDNILSID-UHFFFAOYSA-N
XLogP10.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
CID 90270443
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
CID 121274988
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167352736
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The IUPAC name of 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole (CID 121274991) is 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole.
What is the SMILES notation for 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The canonical SMILES for 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole is CC1(C)c2ccccc2-c2c1c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The InChIKey is QDWHRYRDNILSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-41(2)35-17-9-6-16-33(35)40-39(41)34-26-28(22-25-38(34)43(40)29-12-4-3-5-13-29)27-20-23-30(24-21-27)42-36-18-10-7-14-31(36)32-15-8-11-19-37(32)42/h3-26H,1-2H3.
What are the key properties of 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole has a molecular weight of 550.71 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole is sourced from PubChem (CID 121274991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).