N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H40N2O — CID 144554231

IUPACN-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3N(c3cc4c5ccccc5oc4c4ccccc34)C2C=C1
InChIInChI=1S/C58H40N2O/c1-3-13-39(14-4-1)41-23-30-45(31-24-41)59(46-32-25-42(26-33-46)40-15-5-2-6-16-40)47-34-27-43(28-35-47)44-29-36-55-52(37-44)49-18-9-11-21-54(49)60(55)56-38-53-50-19-10-12-22-57(50)61-58(53)51-20-8-7-17-48(51)56/h1-38,49,54H
InChIKeyNFUPTQTUJIRHLU-UHFFFAOYSA-N
MW780.97 g/mol
LogP15.94
Rot. Bonds7

About N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 144554231) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID144554231
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC NameN-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3N(c3cc4c5ccccc5oc4c4ccccc34)C2C=C1
InChIInChI=1S/C58H40N2O/c1-3-13-39(14-4-1)41-23-30-45(31-24-41)59(46-32-25-42(26-33-46)40-15-5-2-6-16-40)47-34-27-43(28-35-47)44-29-36-55-52(37-44)49-18-9-11-21-54(49)60(55)56-38-53-50-19-10-12-22-57(50)61-58(53)51-20-8-7-17-48(51)56/h1-38,49,54H
InChIKeyNFUPTQTUJIRHLU-UHFFFAOYSA-N
XLogP15.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
CID 88967344
CID 88967344
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
CID 175614953
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167235133
N-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]phenyl]-N-[4-(9-naphthalen-2-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenylaniline
CID 89176587
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 163522843
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 144554231) is N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3N(c3cc4c5ccccc5oc4c4ccccc34)C2C=C1.
What is the InChIKey of N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is NFUPTQTUJIRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-3-13-39(14-4-1)41-23-30-45(31-24-41)59(46-32-25-42(26-33-46)40-15-5-2-6-16-40)47-34-27-43(28-35-47)44-29-36-55-52(37-44)49-18-9-11-21-54(49)60(55)56-38-53-50-19-10-12-22-57(50)61-58(53)51-20-8-7-17-48(51)56/h1-38,49,54H.
What are the key properties of N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 780.97 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144554231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).