N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine

C116H76N2 — CID 167247224

IUPACN-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(N(c7cccc(-c8ccc9c(ccc%10ccccc%109)c8)c7)c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C116H76N2/c1-5-30-77(31-6-1)95-70-71-96(100-50-20-19-49-99(95)100)80-62-66-91(67-63-80)117(109-57-27-35-78-32-14-18-48-98(78)109)110-58-29-56-108-114(110)103-52-22-24-54-106(103)116(108,89-42-11-4-12-43-89)90-44-25-36-81(73-90)84-65-69-101-104(75-84)94-47-17-15-34-85(94)76-112(101)118(92-45-26-37-82(74-92)83-64-68-97-86(72-83)61-60-79-33-13-16-46-93(79)97)111-59-28-55-107-113(111)102-51-21-23-53-105(102)115(107,87-38-7-2-8-39-87)88-40-9-3-10-41-88/h1-76H
InChIKeyKZGUKHQVVWCATO-UHFFFAOYSA-N
MW1497.90 g/mol
LogP30.94
Rot. Bonds14

About N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine

N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine (PubChem CID 167247224) has the molecular formula C116H76N2 and a molecular weight of 1497.90 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
PubChem CID167247224
Molecular FormulaC116H76N2
Molecular Weight1497.90 g/mol
Exact Mass1496.60
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(N(c7cccc(-c8ccc9c(ccc%10ccccc%109)c8)c7)c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C116H76N2/c1-5-30-77(31-6-1)95-70-71-96(100-50-20-19-49-99(95)100)80-62-66-91(67-63-80)117(109-57-27-35-78-32-14-18-48-98(78)109)110-58-29-56-108-114(110)103-52-22-24-54-106(103)116(108,89-42-11-4-12-43-89)90-44-25-36-81(73-90)84-65-69-101-104(75-84)94-47-17-15-34-85(94)76-112(101)118(92-45-26-37-82(74-92)83-64-68-97-86(72-83)61-60-79-33-13-16-46-93(79)97)111-59-28-55-107-113(111)102-51-21-23-53-105(102)115(107,87-38-7-2-8-39-87)88-40-9-3-10-41-88/h1-76H
InChIKeyKZGUKHQVVWCATO-UHFFFAOYSA-N
XLogP30.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001497.90
LogP ≤ 530.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine with MolForge

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Related Compounds

N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-[4-[7-[4-[4-(4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]naphthalen-1-yl]phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167247172
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine (CID 167247224) is N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(N(c7cccc(-c8ccc9c(ccc%10ccccc%109)c8)c7)c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine?
The InChIKey is KZGUKHQVVWCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H76N2/c1-5-30-77(31-6-1)95-70-71-96(100-50-20-19-49-99(95)100)80-62-66-91(67-63-80)117(109-57-27-35-78-32-14-18-48-98(78)109)110-58-29-56-108-114(110)103-52-22-24-54-106(103)116(108,89-42-11-4-12-43-89)90-44-25-36-81(73-90)84-65-69-101-104(75-84)94-47-17-15-34-85(94)76-112(101)118(92-45-26-37-82(74-92)83-64-68-97-86(72-83)61-60-79-33-13-16-46-93(79)97)111-59-28-55-107-113(111)102-51-21-23-53-105(102)115(107,87-38-7-2-8-39-87)88-40-9-3-10-41-88/h1-76H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine?
N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine has a molecular weight of 1497.90 g/mol, XLogP of 30.94, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 167247224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).