9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine

C138H103N9O3 — CID 157486221

IUPAC9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccccn4)cc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccncc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C50H37N3O.2C44H33N3O/c1-50(2)43-15-7-9-18-48(43)54-49-33-40(28-29-44(49)50)52(39-26-21-35(22-27-39)45-16-10-11-31-51-45)38-24-19-34(20-25-38)36-23-30-47-42(32-36)41-14-6-8-17-46(41)53(47)37-12-4-3-5-13-37;1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32;1-44(2)38-13-7-9-15-42(38)48-43-29-35(21-22-39(43)44)46(34-24-26-45-27-25-34)33-19-16-30(17-20-33)31-18-23-41-37(28-31)36-12-6-8-14-40(36)47(41)32-10-4-3-5-11-32/h3-33H,1-2H3;2*3-29H,1-2H3
InChIKeyBWSYBZYIQHDUDE-UHFFFAOYSA-N
MW1935.40 g/mol
LogP36.91
Rot. Bonds16

About 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine (PubChem CID 157486221) has the molecular formula C138H103N9O3 and a molecular weight of 1935.40 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
PubChem CID157486221
Molecular FormulaC138H103N9O3
Molecular Weight1935.40 g/mol
Exact Mass1933.82
IUPAC Name9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccccn4)cc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccncc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C50H37N3O.2C44H33N3O/c1-50(2)43-15-7-9-18-48(43)54-49-33-40(28-29-44(49)50)52(39-26-21-35(22-27-39)45-16-10-11-31-51-45)38-24-19-34(20-25-38)36-23-30-47-42(32-36)41-14-6-8-17-46(41)53(47)37-12-4-3-5-13-37;1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32;1-44(2)38-13-7-9-15-42(38)48-43-29-35(21-22-39(43)44)46(34-24-26-45-27-25-34)33-19-16-30(17-20-33)31-18-23-41-37(28-31)36-12-6-8-14-40(36)47(41)32-10-4-3-5-11-32/h3-33H,1-2H3;2*3-29H,1-2H3
InChIKeyBWSYBZYIQHDUDE-UHFFFAOYSA-N
XLogP36.91
TPSA90.87 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001935.40
LogP ≤ 536.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine with MolForge

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Related Compounds

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CID 145952086
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CID 145953514
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CID 145956120
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1-Methyl-9-(3-phenylpropyl)-7-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butoxy]pyrido[3,4-b]indole;hydrochloride
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CID 71539420

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine (CID 157486221) is 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccccn4)cc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21.CC1(C)c2ccccc2Oc2cc(N(c3ccncc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The InChIKey is BWSYBZYIQHDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3O.2C44H33N3O/c1-50(2)43-15-7-9-18-48(43)54-49-33-40(28-29-44(49)50)52(39-26-21-35(22-27-39)45-16-10-11-31-51-45)38-24-19-34(20-25-38)36-23-30-47-42(32-36)41-14-6-8-17-46(41)53(47)37-12-4-3-5-13-37;1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32;1-44(2)38-13-7-9-15-42(38)48-43-29-35(21-22-39(43)44)46(34-24-26-45-27-25-34)33-19-16-30(17-20-33)31-18-23-41-37(28-31)36-12-6-8-14-40(36)47(41)32-10-4-3-5-11-32/h3-33H,1-2H3;2*3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine has a molecular weight of 1935.40 g/mol, XLogP of 36.91, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)xanthen-3-amine;N-(9,9-dimethylxanthen-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-4-amine;N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 157486221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).