N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine

C45H33N — CID 170139798

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21
InChIInChI=1S/C45H33N/c1-45(2)43-18-9-8-17-41(43)42-26-22-36(29-44(42)45)46(34-15-10-14-32(27-34)30-11-4-3-5-12-30)35-21-25-38-33(28-35)20-24-39-37-16-7-6-13-31(37)19-23-40(38)39/h3-29H,1-2H3
InChIKeyRSYYAUKCFQUQAK-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine (PubChem CID 170139798) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
PubChem CID170139798
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21
InChIInChI=1S/C45H33N/c1-45(2)43-18-9-8-17-41(43)42-26-22-36(29-44(42)45)46(34-15-10-14-32(27-34)30-11-4-3-5-12-30)35-21-25-38-33(28-35)20-24-39-37-16-7-6-13-31(37)19-23-40(38)39/h3-29H,1-2H3
InChIKeyRSYYAUKCFQUQAK-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 512.59
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-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
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-5-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170675737
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167183227
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 174306082

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine (CID 170139798) is N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine?
The InChIKey is RSYYAUKCFQUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-45(2)43-18-9-8-17-41(43)42-26-22-36(29-44(42)45)46(34-15-10-14-32(27-34)30-11-4-3-5-12-30)35-21-25-38-33(28-35)20-24-39-37-16-7-6-13-31(37)19-23-40(38)39/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine has a molecular weight of 587.77 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine is sourced from PubChem (CID 170139798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).