N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine

C63H43N — CID 167182132

IUPACN-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3ccc3ccc5ccccc5c34)cc21
InChIInChI=1S/C63H43N/c1-63(2)58-24-10-9-20-57(58)62-59(63)38-46(52-22-12-23-56-55(52)35-31-44-27-25-42-15-5-8-19-54(42)61(44)56)39-60(62)64(48-34-36-53-45(37-48)28-26-41-14-4-7-18-50(41)53)47-32-29-43(30-33-47)51-21-11-16-40-13-3-6-17-49(40)51/h3-39H,1-2H3
InChIKeyIADARPKXXSGMGF-UHFFFAOYSA-N
MW814.04 g/mol
LogP17.72
Rot. Bonds5

About N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine

N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine (PubChem CID 167182132) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
PubChem CID167182132
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3ccc3ccc5ccccc5c34)cc21
InChIInChI=1S/C63H43N/c1-63(2)58-24-10-9-20-57(58)62-59(63)38-46(52-22-12-23-56-55(52)35-31-44-27-25-42-15-5-8-19-54(42)61(44)56)39-60(62)64(48-34-36-53-45(37-48)28-26-41-14-4-7-18-50(41)53)47-32-29-43(30-33-47)51-21-11-16-40-13-3-6-17-49(40)51/h3-39H,1-2H3
InChIKeyIADARPKXXSGMGF-UHFFFAOYSA-N
XLogP17.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291
7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285163
6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 155095516
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170044310
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-(4-chrysen-5-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170140279
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine (CID 167182132) is N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3ccc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The InChIKey is IADARPKXXSGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-63(2)58-24-10-9-20-57(58)62-59(63)38-46(52-22-12-23-56-55(52)35-31-44-27-25-42-15-5-8-19-54(42)61(44)56)39-60(62)64(48-34-36-53-45(37-48)28-26-41-14-4-7-18-50(41)53)47-32-29-43(30-33-47)51-21-11-16-40-13-3-6-17-49(40)51/h3-39H,1-2H3.
What are the key properties of N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine has a molecular weight of 814.04 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167182132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).