N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine

C57H42N2 — CID 169009715

IUPACN-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-36-43(40-18-9-4-10-19-40)28-33-49(52)50-34-31-46(37-53(50)57)58(45-29-26-41(27-30-45)39-16-7-3-8-17-39)47-32-35-51-55(38-47)59(44-22-13-6-14-23-44)54-25-15-24-48(56(51)54)42-20-11-5-12-21-42/h3-38H,1-2H3
InChIKeyVQNRAZBEBFIWCQ-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 169009715) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID169009715
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-36-43(40-18-9-4-10-19-40)28-33-49(52)50-34-31-46(37-53(50)57)58(45-29-26-41(27-30-45)39-16-7-3-8-17-39)47-32-35-51-55(38-47)59(44-22-13-6-14-23-44)54-25-15-24-48(56(51)54)42-20-11-5-12-21-42/h3-38H,1-2H3
InChIKeyVQNRAZBEBFIWCQ-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010188
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 155138309
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391796

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 169009715) is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is VQNRAZBEBFIWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-36-43(40-18-9-4-10-19-40)28-33-49(52)50-34-31-46(37-53(50)57)58(45-29-26-41(27-30-45)39-16-7-3-8-17-39)47-32-35-51-55(38-47)59(44-22-13-6-14-23-44)54-25-15-24-48(56(51)54)42-20-11-5-12-21-42/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 754.98 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).