N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine

C84H55N3OS2 — CID 163596548

IUPACN,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1
InChIInChI=1S/C48H32N2O.C36H23NS2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h1-32H;1-23H
InChIKeyGTXUPILHFKRIGP-UHFFFAOYSA-N
MW1186.52 g/mol
LogP25.05
Rot. Bonds10

About N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine

N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine (PubChem CID 163596548) has the molecular formula C84H55N3OS2 and a molecular weight of 1186.52 g/mol. Its IUPAC name is N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine
PubChem CID163596548
Molecular FormulaC84H55N3OS2
Molecular Weight1186.52 g/mol
Exact Mass1185.38
IUPAC NameN,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1
InChIInChI=1S/C48H32N2O.C36H23NS2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h1-32H;1-23H
InChIKeyGTXUPILHFKRIGP-UHFFFAOYSA-N
XLogP25.05
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.52
LogP ≤ 525.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-[4-(24-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzothiophen-2-amine;N-[4-[20,24-di(dibenzofuran-2-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl]phenyl]-N,4-diphenylaniline;N,N-diphenyl-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)aniline;N,N-diphenyl-4-[3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]aniline
CID 160712701
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 163670822
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine
CID 159146992

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine?
The IUPAC name of N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine (CID 163596548) is N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine.
What is the SMILES notation for N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine?
The canonical SMILES for N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1.
What is the InChIKey of N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine?
The InChIKey is GTXUPILHFKRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O.C36H23NS2/c1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h1-32H;1-23H.
What are the key properties of N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine?
N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine has a molecular weight of 1186.52 g/mol, XLogP of 25.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine is sourced from PubChem (CID 163596548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).