N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine

C55H40N2 — CID 168809228

IUPACN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)48-25-12-8-24-46(48)54-49(55)26-16-30-53(54)56(50-27-13-9-21-43(50)37-17-4-3-5-18-37)40-33-31-38(32-34-40)47-36-41(35-39-19-6-7-20-42(39)47)57-51-28-14-10-22-44(51)45-23-11-15-29-52(45)57/h3-36H,1-2H3
InChIKeyCROCSLVNCOQCCB-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine (PubChem CID 168809228) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
PubChem CID168809228
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)48-25-12-8-24-46(48)54-49(55)26-16-30-53(54)56(50-27-13-9-21-43(50)37-17-4-3-5-18-37)40-33-31-38(32-34-40)47-36-41(35-39-19-6-7-20-42(39)47)57-51-28-14-10-22-44(51)45-23-11-15-29-52(45)57/h3-36H,1-2H3
InChIKeyCROCSLVNCOQCCB-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(7-carbazol-9-ylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 159798759
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[4-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-(7-carbazol-9-yl-4-phenylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158279061
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine (CID 168809228) is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine?
The InChIKey is CROCSLVNCOQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)48-25-12-8-24-46(48)54-49(55)26-16-30-53(54)56(50-27-13-9-21-43(50)37-17-4-3-5-18-37)40-33-31-38(32-34-40)47-36-41(35-39-19-6-7-20-42(39)47)57-51-28-14-10-22-44(51)45-23-11-15-29-52(45)57/h3-36H,1-2H3.
What are the key properties of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine?
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 168809228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).