N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine

C38H33N — CID 59308503

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
SMILESCC(C)c1ccc2c(ccc3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)c1
InChIInChI=1S/C38H33N/c1-25(2)26-16-19-32-27(22-26)14-15-28-23-30(17-20-33(28)32)39(29-10-6-5-7-11-29)31-18-21-35-34-12-8-9-13-36(34)38(3,4)37(35)24-31/h5-25H,1-4H3
InChIKeyIGEIABBJVLMNPB-UHFFFAOYSA-N
MW503.69 g/mol
LogP10.89
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine (PubChem CID 59308503) has the molecular formula C38H33N and a molecular weight of 503.69 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
PubChem CID59308503
Molecular FormulaC38H33N
Molecular Weight503.69 g/mol
Exact Mass503.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
SMILESCC(C)c1ccc2c(ccc3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)c1
InChIInChI=1S/C38H33N/c1-25(2)26-16-19-32-27(22-26)14-15-28-23-30(17-20-33(28)32)39(29-10-6-5-7-11-29)31-18-21-35-34-12-8-9-13-36(34)38(3,4)37(35)24-31/h5-25H,1-4H3
InChIKeyIGEIABBJVLMNPB-UHFFFAOYSA-N
XLogP10.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 510.89
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

3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
CID 163949836
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
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
10,10-dimethyl-N-phenyl-N-triphenylen-2-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 168740172
9-N,23-N-bis(9,9-dimethylfluoren-2-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362589
8-N,23-N-bis(9,9-dimethylfluoren-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362049
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N,N-bis(9,9-dimethylfluoren-2-yl)-8-propan-2-ylperylen-2-amine;N,N-dinaphthalen-1-yl-8-propan-2-ylperylen-2-amine;N,N-dinaphthalen-2-yl-8-propan-2-ylperylen-2-amine;N,N-di(phenanthren-9-yl)-8-propan-2-ylperylen-2-amine;N,N-diphenyl-8-propan-2-ylperylen-2-amine
CID 158628976
16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenanthren-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
CID 118030248
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine (CID 59308503) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine is CC(C)c1ccc2c(ccc3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)c1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine?
The InChIKey is IGEIABBJVLMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N/c1-25(2)26-16-19-32-27(22-26)14-15-28-23-30(17-20-33(28)32)39(29-10-6-5-7-11-29)31-18-21-35-34-12-8-9-13-36(34)38(3,4)37(35)24-31/h5-25H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine has a molecular weight of 503.69 g/mol, XLogP of 10.89, 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-phenyl-7-propan-2-ylphenanthren-2-amine is sourced from PubChem (CID 59308503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).