N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene

C75H61N — CID 144741257

IUPACN-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)ccc1-2.Cc1ccccc1-c1c(C)c2ccccc2c2ccccc12
InChIInChI=1S/C53H43N.C22H18/c1-36-23-30-45-46-31-28-42(34-50(46)52(2,3)49(45)33-36)54(41-26-24-38(25-27-41)37-15-7-4-8-16-37)43-29-32-47-44-21-13-14-22-48(44)53(51(47)35-43,39-17-9-5-10-18-39)40-19-11-6-12-20-40;1-15-9-3-4-10-17(15)22-16(2)18-11-5-6-12-19(18)20-13-7-8-14-21(20)22/h4-19,21-35,40H,20H2,1-3H3;3-14H,1-2H3
InChIKeyOLFPNSKSTVZUPH-UHFFFAOYSA-N
MW976.32 g/mol
LogP20.16
Rot. Bonds7

About N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene

N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene (PubChem CID 144741257) has the molecular formula C75H61N and a molecular weight of 976.32 g/mol. Its IUPAC name is N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene.

Molecular Properties

Compound NameN-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
PubChem CID144741257
Molecular FormulaC75H61N
Molecular Weight976.32 g/mol
Exact Mass975.48
IUPAC NameN-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)ccc1-2.Cc1ccccc1-c1c(C)c2ccccc2c2ccccc12
InChIInChI=1S/C53H43N.C22H18/c1-36-23-30-45-46-31-28-42(34-50(46)52(2,3)49(45)33-36)54(41-26-24-38(25-27-41)37-15-7-4-8-16-37)43-29-32-47-44-21-13-14-22-48(44)53(51(47)35-43,39-17-9-5-10-18-39)40-19-11-6-12-20-40;1-15-9-3-4-10-17(15)22-16(2)18-11-5-6-12-19(18)20-13-7-8-14-21(20)22/h4-19,21-35,40H,20H2,1-3H3;3-14H,1-2H3
InChIKeyOLFPNSKSTVZUPH-UHFFFAOYSA-N
XLogP20.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.32
LogP ≤ 520.16
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-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9-cyclohexa-2,4-dien-1-yl-N-[4-(7-methyl-9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166777833
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144995098
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 126548666
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370
5-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 66837991

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene?
The IUPAC name of N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene (CID 144741257) is N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene.
What is the SMILES notation for N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene?
The canonical SMILES for N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)ccc1-2.Cc1ccccc1-c1c(C)c2ccccc2c2ccccc12.
What is the InChIKey of N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene?
The InChIKey is OLFPNSKSTVZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N.C22H18/c1-36-23-30-45-46-31-28-42(34-50(46)52(2,3)49(45)33-36)54(41-26-24-38(25-27-41)37-15-7-4-8-16-37)43-29-32-47-44-21-13-14-22-48(44)53(51(47)35-43,39-17-9-5-10-18-39)40-19-11-6-12-20-40;1-15-9-3-4-10-17(15)22-16(2)18-11-5-6-12-19(18)20-13-7-8-14-21(20)22/h4-19,21-35,40H,20H2,1-3H3;3-14H,1-2H3.
What are the key properties of N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene?
N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene has a molecular weight of 976.32 g/mol, XLogP of 20.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene is sourced from PubChem (CID 144741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).