N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine

C58H42N2 — CID 88891816

IUPACN-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1CC=Cc2c1c1cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C58H42N2/c1-39-16-15-27-56-57(39)52-37-48(31-33-55(52)60(56)46-23-9-4-10-24-46)59(47-29-28-42-34-40-17-11-12-18-41(40)35-43(42)36-47)49-30-32-51-50-25-13-14-26-53(50)58(54(51)38-49,44-19-5-2-6-20-44)45-21-7-3-8-22-45/h2-15,17-39H,16H2,1H3
InChIKeyYMAUYLSFEFYKGI-UHFFFAOYSA-N
MW766.99 g/mol
LogP15.29
Rot. Bonds6

About N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine

N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine (PubChem CID 88891816) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine
PubChem CID88891816
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1CC=Cc2c1c1cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C58H42N2/c1-39-16-15-27-56-57(39)52-37-48(31-33-55(52)60(56)46-23-9-4-10-24-46)59(47-29-28-42-34-40-17-11-12-18-41(40)35-43(42)36-47)49-30-32-51-50-25-13-14-26-53(50)58(54(51)38-49,44-19-5-2-6-20-44)45-21-7-3-8-22-45/h2-15,17-39H,16H2,1H3
InChIKeyYMAUYLSFEFYKGI-UHFFFAOYSA-N
XLogP15.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163530919
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163462319
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155346
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5,6-diphenyl-11H-indolo[2,3-b]quinolin-2-amine
CID 158815387
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 177080037
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580

Frequently Asked Questions

What is the IUPAC name of N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine (CID 88891816) is N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine is CC1CC=Cc2c1c1cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccccc1.
What is the InChIKey of N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine?
The InChIKey is YMAUYLSFEFYKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-39-16-15-27-56-57(39)52-37-48(31-33-55(52)60(56)46-23-9-4-10-24-46)59(47-29-28-42-34-40-17-11-12-18-41(40)35-43(42)36-47)49-30-32-51-50-25-13-14-26-53(50)58(54(51)38-49,44-19-5-2-6-20-44)45-21-7-3-8-22-45/h2-15,17-39H,16H2,1H3.
What are the key properties of N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine?
N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine has a molecular weight of 766.99 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 88891816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).