3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene

C53H43N — CID 144810243

IUPAC3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H31N.C13H12/c1-40(2)36-14-8-6-12-32(36)33-22-18-28(25-37(33)40)24-27-16-19-29(20-17-27)30-21-23-39-35(26-30)34-13-7-9-15-38(34)41(39)31-10-4-3-5-11-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-23,25-26H,24H2,1-2H3;2-10H,1H3
InChIKeyQSDRIOUWRGKSHP-UHFFFAOYSA-N
MW693.93 g/mol
LogP14.01
Rot. Bonds5

About 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene

3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene (PubChem CID 144810243) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
PubChem CID144810243
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Name3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H31N.C13H12/c1-40(2)36-14-8-6-12-32(36)33-22-18-28(25-37(33)40)24-27-16-19-29(20-17-27)30-21-23-39-35(26-30)34-13-7-9-15-38(34)41(39)31-10-4-3-5-11-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-23,25-26H,24H2,1-2H3;2-10H,1H3
InChIKeyQSDRIOUWRGKSHP-UHFFFAOYSA-N
XLogP14.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 514.01
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
acetylene;3-(3-bromophenyl)-9-phenylcarbazole;9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
CID 162062710
2-benzyl-9-phenylcarbazole;2-[(9,9-dimethylfluoren-2-yl)methyl]-9-phenylcarbazole;N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-2-[(4-phenylphenyl)methyl]carbazole
CID 158340321
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene?
The IUPAC name of 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene (CID 144810243) is 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene.
What is the SMILES notation for 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene?
The canonical SMILES for 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene is CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene?
The InChIKey is QSDRIOUWRGKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N.C13H12/c1-40(2)36-14-8-6-12-32(36)33-22-18-28(25-37(33)40)24-27-16-19-29(20-17-27)30-21-23-39-35(26-30)34-13-7-9-15-38(34)41(39)31-10-4-3-5-11-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-23,25-26H,24H2,1-2H3;2-10H,1H3.
What are the key properties of 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene?
3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene has a molecular weight of 693.93 g/mol, XLogP of 14.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene is sourced from PubChem (CID 144810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).