N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine

C46H30N2OS — CID 170034736

IUPACN-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
SMILESC1=CC2Sc3ccccc3C2C=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1oc1ccc3ccccc3c12
InChIInChI=1S/C46H30N2OS/c1-2-12-30(13-3-1)48-39-18-8-6-15-34(39)37-27-31(22-24-40(37)48)47(32-23-26-44-38(28-32)35-16-7-9-20-43(35)50-44)41-19-10-17-36-45-33-14-5-4-11-29(33)21-25-42(45)49-46(36)41/h1-28,38,44H
InChIKeyKIFQLFAMKIVJGV-UHFFFAOYSA-N
MW658.83 g/mol
LogP12.69
Rot. Bonds4

About N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine

N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine (PubChem CID 170034736) has the molecular formula C46H30N2OS and a molecular weight of 658.83 g/mol. Its IUPAC name is N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
PubChem CID170034736
Molecular FormulaC46H30N2OS
Molecular Weight658.83 g/mol
Exact Mass658.21
IUPAC NameN-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
SMILESC1=CC2Sc3ccccc3C2C=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1oc1ccc3ccccc3c12
InChIInChI=1S/C46H30N2OS/c1-2-12-30(13-3-1)48-39-18-8-6-15-34(39)37-27-31(22-24-40(37)48)47(32-23-26-44-38(28-32)35-16-7-9-20-43(35)50-44)41-19-10-17-36-45-33-14-5-4-11-29(33)21-25-42(45)49-46(36)41/h1-28,38,44H
InChIKeyKIFQLFAMKIVJGV-UHFFFAOYSA-N
XLogP12.69
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796157
8-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-N,5-N,8-N-tris(9-phenylcarbazol-3-yl)benzo[c]phenanthrene-5,8-diamine
CID 90892132
9-(3,5-ditert-butylphenyl)-N-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylcarbazol-4-amine
CID 156529816
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795783
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594

Frequently Asked Questions

What is the IUPAC name of N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine (CID 170034736) is N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine is C1=CC2Sc3ccccc3C2C=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1oc1ccc3ccccc3c12.
What is the InChIKey of N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine?
The InChIKey is KIFQLFAMKIVJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2OS/c1-2-12-30(13-3-1)48-39-18-8-6-15-34(39)37-27-31(22-24-40(37)48)47(32-23-26-44-38(28-32)35-16-7-9-20-43(35)50-44)41-19-10-17-36-45-33-14-5-4-11-29(33)21-25-42(45)49-46(36)41/h1-28,38,44H.
What are the key properties of N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine?
N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine has a molecular weight of 658.83 g/mol, XLogP of 12.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9b-dihydrodibenzothiophen-2-yl)-N-naphtho[2,1-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170034736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).