N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

C61H44N2 — CID 167222274

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C61H44N2/c1-61(2)54-27-9-6-24-53(54)60-55(61)28-15-31-58(60)62(47-38-34-43(35-39-47)50-26-14-19-44-18-13-25-49(59(44)50)42-16-4-3-5-17-42)46-36-32-41(33-37-46)45-20-12-21-48(40-45)63-56-29-10-7-22-51(56)52-23-8-11-30-57(52)63/h3-40H,1-2H3
InChIKeyBUHGXTLEXKYUJV-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.71
Rot. Bonds7

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (PubChem CID 167222274) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
PubChem CID167222274
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C61H44N2/c1-61(2)54-27-9-6-24-53(54)60-55(61)28-15-31-58(60)62(47-38-34-43(35-39-47)50-26-14-19-44-18-13-25-49(59(44)50)42-16-4-3-5-17-42)46-36-32-41(33-37-46)45-20-12-21-48(40-45)63-56-29-10-7-22-51(56)52-23-8-11-30-57(52)63/h3-40H,1-2H3
InChIKeyBUHGXTLEXKYUJV-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
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
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
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
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 168809228
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (CID 167222274) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The InChIKey is BUHGXTLEXKYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-61(2)54-27-9-6-24-53(54)60-55(61)28-15-31-58(60)62(47-38-34-43(35-39-47)50-26-14-19-44-18-13-25-49(59(44)50)42-16-4-3-5-17-42)46-36-32-41(33-37-46)45-20-12-21-48(40-45)63-56-29-10-7-22-51(56)52-23-8-11-30-57(52)63/h3-40H,1-2H3.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine has a molecular weight of 805.04 g/mol, XLogP of 16.71, 7 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-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 167222274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).