3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole

C45H32N2O — CID 169281830

IUPAC3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)Oc2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2ccccc21
InChIInChI=1S/C45H32N2O/c1-45(2)37-18-9-6-17-34(37)44-42(21-12-22-43(44)48-45)47-39-20-11-8-16-33(39)36-28-30(24-26-41(36)47)29-23-25-40-35(27-29)32-15-7-10-19-38(32)46(40)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyCGJLRBIWMHGUGS-UHFFFAOYSA-N
MW616.76 g/mol
LogP11.84
Rot. Bonds3

About 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 169281830) has the molecular formula C45H32N2O and a molecular weight of 616.76 g/mol. Its IUPAC name is 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID169281830
Molecular FormulaC45H32N2O
Molecular Weight616.76 g/mol
Exact Mass616.25
IUPAC Name3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)Oc2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2ccccc21
InChIInChI=1S/C45H32N2O/c1-45(2)37-18-9-6-17-34(37)44-42(21-12-22-43(44)48-45)47-39-20-11-8-16-33(39)36-28-30(24-26-41(36)47)29-23-25-40-35(27-29)32-15-7-10-19-38(32)46(40)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyCGJLRBIWMHGUGS-UHFFFAOYSA-N
XLogP11.84
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
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
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118487722
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
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
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole (CID 169281830) is 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole is CC1(C)Oc2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2ccccc21.
What is the InChIKey of 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is CGJLRBIWMHGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2O/c1-45(2)37-18-9-6-17-34(37)44-42(21-12-22-43(44)48-45)47-39-20-11-8-16-33(39)36-28-30(24-26-41(36)47)29-23-25-40-35(27-29)32-15-7-10-19-38(32)46(40)31-13-4-3-5-14-31/h3-28H,1-2H3.
What are the key properties of 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 616.76 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 169281830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).