N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine

C55H39N — CID 167181893

IUPACN-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21
InChIInChI=1S/C55H39N/c1-55(2)52-20-8-7-18-50(52)51-35-45(30-32-53(51)55)56(44-15-9-14-41(34-44)47-19-10-13-37-11-3-5-16-46(37)47)43-28-25-36(26-29-43)40-27-31-49-42(33-40)24-23-39-22-21-38-12-4-6-17-48(38)54(39)49/h3-35H,1-2H3
InChIKeyGIJMZRQUFUWCNX-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine

N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine (PubChem CID 167181893) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
PubChem CID167181893
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21
InChIInChI=1S/C55H39N/c1-55(2)52-20-8-7-18-50(52)51-35-45(30-32-53(51)55)56(44-15-9-14-41(34-44)47-19-10-13-37-11-3-5-16-46(37)47)43-28-25-36(26-29-43)40-27-31-49-42(33-40)24-23-39-22-21-38-12-4-6-17-48(38)54(39)49/h3-35H,1-2H3
InChIKeyGIJMZRQUFUWCNX-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
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-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167183227
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170675865
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
CID 139355267
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine?
The IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine (CID 167181893) is N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine?
The canonical SMILES for N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21.
What is the InChIKey of N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine?
The InChIKey is GIJMZRQUFUWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)52-20-8-7-18-50(52)51-35-45(30-32-53(51)55)56(44-15-9-14-41(34-44)47-19-10-13-37-11-3-5-16-46(37)47)43-28-25-36(26-29-43)40-27-31-49-42(33-40)24-23-39-22-21-38-12-4-6-17-48(38)54(39)49/h3-35H,1-2H3.
What are the key properties of N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine?
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 167181893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).