N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine

C47H34N2 — CID 163526575

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4c3)cc21
InChIInChI=1S/C47H34N2/c1-47(2)43-18-10-8-16-39(43)40-26-23-35(29-44(40)47)48(33-13-4-3-5-14-33)36-24-27-42-41-17-9-11-19-45(41)49(46(42)30-36)34-22-25-38-32(28-34)21-20-31-12-6-7-15-37(31)38/h3-30H,1-2H3
InChIKeyDPHCYOLQJZBJJB-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.87
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine (PubChem CID 163526575) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
PubChem CID163526575
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4c3)cc21
InChIInChI=1S/C47H34N2/c1-47(2)43-18-10-8-16-39(43)40-26-23-35(29-44(40)47)48(33-13-4-3-5-14-33)36-24-27-42-41-17-9-11-19-45(41)49(46(42)30-36)34-22-25-38-32(28-34)21-20-31-12-6-7-15-37(31)38/h3-30H,1-2H3
InChIKeyDPHCYOLQJZBJJB-UHFFFAOYSA-N
XLogP12.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
CID 135129010
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine (CID 163526575) is N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine?
The InChIKey is DPHCYOLQJZBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-47(2)43-18-10-8-16-39(43)40-26-23-35(29-44(40)47)48(33-13-4-3-5-14-33)36-24-27-42-41-17-9-11-19-45(41)49(46(42)30-36)34-22-25-38-32(28-34)21-20-31-12-6-7-15-37(31)38/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine has a molecular weight of 626.80 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 163526575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).