N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine

C49H34N2O — CID 177122168

IUPACN-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3oc3c5ccccc5ccc43)cccc21
InChIInChI=1S/C49H34N2O/c1-49(2)40-21-10-8-19-39(40)46-41(49)22-13-24-43(46)51(44-25-12-20-37-38-28-26-31-14-6-7-17-34(31)47(38)52-48(37)44)33-27-29-36-35-18-9-11-23-42(35)50(45(36)30-33)32-15-4-3-5-16-32/h3-30H,1-2H3
InChIKeyNLJZXTBZINPDGK-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.61
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine (PubChem CID 177122168) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
PubChem CID177122168
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3oc3c5ccccc5ccc43)cccc21
InChIInChI=1S/C49H34N2O/c1-49(2)40-21-10-8-19-39(40)46-41(49)22-13-24-43(46)51(44-25-12-20-37-38-28-26-31-14-6-7-17-34(31)47(38)52-48(37)44)33-27-29-36-35-18-9-11-23-42(35)50(45(36)30-33)32-15-4-3-5-16-32/h3-30H,1-2H3
InChIKeyNLJZXTBZINPDGK-UHFFFAOYSA-N
XLogP13.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
CID 177122073
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-(9,9-dimethylfluoren-4-yl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 158067957
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997166
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277095
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 146332893
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine (CID 177122168) is N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3oc3c5ccccc5ccc43)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine?
The InChIKey is NLJZXTBZINPDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-49(2)40-21-10-8-19-39(40)46-41(49)22-13-24-43(46)51(44-25-12-20-37-38-28-26-31-14-6-7-17-34(31)47(38)52-48(37)44)33-27-29-36-35-18-9-11-23-42(35)50(45(36)30-33)32-15-4-3-5-16-32/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine has a molecular weight of 666.82 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 177122168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).