5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine

C58H38N6O — CID 164813180

IUPAC5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3oc4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ncc4c3cn2)cc1
InChIInChI=1S/C58H38N6O/c1-5-17-39(18-6-1)61(43-29-31-47-45-25-13-15-27-51(45)63(53(47)33-43)41-21-9-3-10-22-41)57-35-55-49(37-59-57)50-38-60-58(36-56(50)65-55)62(40-19-7-2-8-20-40)44-30-32-48-46-26-14-16-28-52(46)64(54(48)34-44)42-23-11-4-12-24-42/h1-38H
InChIKeyZCEWGQDFHGHHNR-UHFFFAOYSA-N
MW834.98 g/mol
LogP15.51
Rot. Bonds8

About 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine

5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (PubChem CID 164813180) has the molecular formula C58H38N6O and a molecular weight of 834.98 g/mol. Its IUPAC name is 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
PubChem CID164813180
Molecular FormulaC58H38N6O
Molecular Weight834.98 g/mol
Exact Mass834.31
IUPAC Name5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3oc4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ncc4c3cn2)cc1
InChIInChI=1S/C58H38N6O/c1-5-17-39(18-6-1)61(43-29-31-47-45-25-13-15-27-51(45)63(53(47)33-43)41-21-9-3-10-22-41)57-35-55-49(37-59-57)50-38-60-58(36-56(50)65-55)62(40-19-7-2-8-20-40)44-30-32-48-46-26-14-16-28-52(46)64(54(48)34-44)42-23-11-4-12-24-42/h1-38H
InChIKeyZCEWGQDFHGHHNR-UHFFFAOYSA-N
XLogP15.51
TPSA55.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.98
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine with MolForge

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Related Compounds

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359579
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813341
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine
CID 170177471
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
The IUPAC name of 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (CID 164813180) is 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine.
What is the SMILES notation for 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
The canonical SMILES for 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3oc4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ncc4c3cn2)cc1.
What is the InChIKey of 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
The InChIKey is ZCEWGQDFHGHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N6O/c1-5-17-39(18-6-1)61(43-29-31-47-45-25-13-15-27-51(45)63(53(47)33-43)41-21-9-3-10-22-41)57-35-55-49(37-59-57)50-38-60-58(36-56(50)65-55)62(40-19-7-2-8-20-40)44-30-32-48-46-26-14-16-28-52(46)64(54(48)34-44)42-23-11-4-12-24-42/h1-38H.
What are the key properties of 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine has a molecular weight of 834.98 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine is sourced from PubChem (CID 164813180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).