9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole

C54H41N — CID 146395767

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
SMILESCC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccccc2C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H41N/c1-34-41-27-24-37(31-47(41)42-18-7-8-21-46(42)53(34)39-17-13-16-36(30-39)35-14-5-4-6-15-35)38-25-29-52-48(32-38)45-20-10-12-23-51(45)55(52)40-26-28-44-43-19-9-11-22-49(43)54(2,3)50(44)33-40/h4-34,53H,1-3H3
InChIKeyWMUABQYQQHBNFV-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.34
Rot. Bonds4

About 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole (PubChem CID 146395767) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
PubChem CID146395767
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
SMILESCC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccccc2C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H41N/c1-34-41-27-24-37(31-47(41)42-18-7-8-21-46(42)53(34)39-17-13-16-36(30-39)35-14-5-4-6-15-35)38-25-29-52-48(32-38)45-20-10-12-23-51(45)55(52)40-26-28-44-43-19-9-11-22-49(43)54(2,3)50(44)33-40/h4-34,53H,1-3H3
InChIKeyWMUABQYQQHBNFV-UHFFFAOYSA-N
XLogP14.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
CID 156573457
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole (CID 146395767) is 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole is CC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccccc2C1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole?
The InChIKey is WMUABQYQQHBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-34-41-27-24-37(31-47(41)42-18-7-8-21-46(42)53(34)39-17-13-16-36(30-39)35-14-5-4-6-15-35)38-25-29-52-48(32-38)45-20-10-12-23-51(45)55(52)40-26-28-44-43-19-9-11-22-49(43)54(2,3)50(44)33-40/h4-34,53H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole has a molecular weight of 703.93 g/mol, XLogP of 14.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole is sourced from PubChem (CID 146395767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).