N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine

C88H59F2N3 — CID 90129014

IUPACN-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
SMILESCc1ccc(C(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)c(F)c4)c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)c4ccccc4c2-3)c2cccc3c2c2ccccc2n3-c2cccc3ccccc23)cc1F
InChIInChI=1S/C88H59F2N3/c1-55-45-47-60(52-74(55)89)84(71-37-21-42-80-86(71)69-35-15-17-38-78(69)92(80)76-40-19-25-57-23-9-11-31-64(57)76)59-48-50-68-72(51-59)88(61-27-5-3-6-28-61,62-29-7-4-8-30-62)73-54-83(66-33-13-14-34-67(66)85(68)73)91(63-49-46-56(2)75(90)53-63)81-43-22-44-82-87(81)70-36-16-18-39-79(70)93(82)77-41-20-26-58-24-10-12-32-65(58)77/h3-54,84H,1-2H3
InChIKeyGQLAWCZBUYQZHI-UHFFFAOYSA-N
MW1196.46 g/mol
LogP23.25
Rot. Bonds10

About N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine

N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine (PubChem CID 90129014) has the molecular formula C88H59F2N3 and a molecular weight of 1196.46 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
PubChem CID90129014
Molecular FormulaC88H59F2N3
Molecular Weight1196.46 g/mol
Exact Mass1195.47
IUPAC NameN-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
SMILESCc1ccc(C(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)c(F)c4)c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)c4ccccc4c2-3)c2cccc3c2c2ccccc2n3-c2cccc3ccccc23)cc1F
InChIInChI=1S/C88H59F2N3/c1-55-45-47-60(52-74(55)89)84(71-37-21-42-80-86(71)69-35-15-17-38-78(69)92(80)76-40-19-25-57-23-9-11-31-64(57)76)59-48-50-68-72(51-59)88(61-27-5-3-6-28-61,62-29-7-4-8-30-62)73-54-83(66-33-13-14-34-67(66)85(68)73)91(63-49-46-56(2)75(90)53-63)81-43-22-44-82-87(81)70-36-16-18-39-79(70)93(82)77-41-20-26-58-24-10-12-32-65(58)77/h3-54,84H,1-2H3
InChIKeyGQLAWCZBUYQZHI-UHFFFAOYSA-N
XLogP23.25
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.46
LogP ≤ 523.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine (CID 90129014) is N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine is Cc1ccc(C(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C)c(F)c4)c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)c4ccccc4c2-3)c2cccc3c2c2ccccc2n3-c2cccc3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The InChIKey is GQLAWCZBUYQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H59F2N3/c1-55-45-47-60(52-74(55)89)84(71-37-21-42-80-86(71)69-35-15-17-38-78(69)92(80)76-40-19-25-57-23-9-11-31-64(57)76)59-48-50-68-72(51-59)88(61-27-5-3-6-28-61,62-29-7-4-8-30-62)73-54-83(66-33-13-14-34-67(66)85(68)73)91(63-49-46-56(2)75(90)53-63)81-43-22-44-82-87(81)70-36-16-18-39-79(70)93(82)77-41-20-26-58-24-10-12-32-65(58)77/h3-54,84H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine has a molecular weight of 1196.46 g/mol, XLogP of 23.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N-[9-[(3-fluoro-4-methylphenyl)-(9-naphthalen-1-ylcarbazol-4-yl)methyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-9-naphthalen-1-ylcarbazol-4-amine is sourced from PubChem (CID 90129014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).