5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

C45H39N — CID 123682532

IUPAC5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC(C)(C)c1ccc(C2Cc3ccccc3-c3cc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)ccc32)cc1
InChIInChI=1S/C45H39N/c1-44(2,3)30-20-18-28(19-21-30)36-24-29-12-6-7-13-32(29)37-25-31(22-23-33(36)37)46-42-17-11-9-15-35(42)39-26-38-34-14-8-10-16-40(34)45(4,5)41(38)27-43(39)46/h6-23,25-27,36H,24H2,1-5H3
InChIKeyRDZVIPSALQCQRO-UHFFFAOYSA-N
MW593.81 g/mol
LogP11.74
Rot. Bonds2

About 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 123682532) has the molecular formula C45H39N and a molecular weight of 593.81 g/mol. Its IUPAC name is 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID123682532
Molecular FormulaC45H39N
Molecular Weight593.81 g/mol
Exact Mass593.31
IUPAC Name5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC(C)(C)c1ccc(C2Cc3ccccc3-c3cc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)ccc32)cc1
InChIInChI=1S/C45H39N/c1-44(2,3)30-20-18-28(19-21-30)36-24-29-12-6-7-13-32(29)37-25-31(22-23-33(36)37)46-42-17-11-9-15-35(42)39-26-38-34-14-8-10-16-40(34)45(4,5)41(38)27-43(39)46/h6-23,25-27,36H,24H2,1-5H3
InChIKeyRDZVIPSALQCQRO-UHFFFAOYSA-N
XLogP11.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole
CID 123541613
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
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
2-tert-butyl-5-[6-(2-tert-butyl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)anthracen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121355720
9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole
CID 126592464
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 123682532) is 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC(C)(C)c1ccc(C2Cc3ccccc3-c3cc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)ccc32)cc1.
What is the InChIKey of 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is RDZVIPSALQCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N/c1-44(2,3)30-20-18-28(19-21-30)36-24-29-12-6-7-13-32(29)37-25-31(22-23-33(36)37)46-42-17-11-9-15-35(42)39-26-38-34-14-8-10-16-40(34)45(4,5)41(38)27-43(39)46/h6-23,25-27,36H,24H2,1-5H3.
What are the key properties of 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 593.81 g/mol, XLogP of 11.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 123682532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).