9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole

C50H48N2 — CID 163496407

IUPAC9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1CC(n2c3ccccc3c3ccccc32)=CC=C1C(C)(C)c1ccc(C(C)(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4C)cc2)cc1
InChIInChI=1S/C50H48N2/c1-33-14-13-18-43-42-17-9-12-21-47(42)52(48(33)43)38-28-26-36(27-29-38)49(3,4)35-22-24-37(25-23-35)50(5,6)44-31-30-39(32-34(44)2)51-45-19-10-7-15-40(45)41-16-8-11-20-46(41)51/h7-13,15-31,33-34H,14,32H2,1-6H3
InChIKeyCRCBOQAQKMEXEY-UHFFFAOYSA-N
MW676.95 g/mol
LogP13.37
Rot. Bonds6

About 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole

9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 163496407) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID163496407
Molecular FormulaC50H48N2
Molecular Weight676.95 g/mol
Exact Mass676.38
IUPAC Name9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1CC(n2c3ccccc3c3ccccc32)=CC=C1C(C)(C)c1ccc(C(C)(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4C)cc2)cc1
InChIInChI=1S/C50H48N2/c1-33-14-13-18-43-42-17-9-12-21-47(42)52(48(33)43)38-28-26-36(27-29-38)49(3,4)35-22-24-37(25-23-35)50(5,6)44-31-30-39(32-34(44)2)51-45-19-10-7-15-40(45)41-16-8-11-20-46(41)51/h7-13,15-31,33-34H,14,32H2,1-6H3
InChIKeyCRCBOQAQKMEXEY-UHFFFAOYSA-N
XLogP13.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.95
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole with MolForge

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Related Compounds

8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 152974605
11-(1-methyl-1,2-dihydrocarbazol-9-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 123369795
9-[3-(1,2-dihydrocarbazol-9-ylmethyl)phenyl]-1-methyl-1,2-dihydrocarbazole
CID 156510593
(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
CID 163561656
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
CID 170065557
2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole
CID 163580956
6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 166670155
9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775
(2R)-1,2-dimethyl-9-phenyl-1,2-dihydrocarbazole
CID 70929960
15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163836477
4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
CID 155015317

Frequently Asked Questions

What is the IUPAC name of 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole (CID 163496407) is 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole is CC1CC(n2c3ccccc3c3ccccc32)=CC=C1C(C)(C)c1ccc(C(C)(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4C)cc2)cc1.
What is the InChIKey of 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is CRCBOQAQKMEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N2/c1-33-14-13-18-43-42-17-9-12-21-47(42)52(48(33)43)38-28-26-36(27-29-38)49(3,4)35-22-24-37(25-23-35)50(5,6)44-31-30-39(32-34(44)2)51-45-19-10-7-15-40(45)41-16-8-11-20-46(41)51/h7-13,15-31,33-34H,14,32H2,1-6H3.
What are the key properties of 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole?
9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 676.95 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 163496407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).