6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine

C62H39N7O — CID 118912209

IUPAC6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2ccc3c4ccc(-c5ccnc(-c6cccnc6)c5)cc4c4nccnc4c3c2)cc1
InChIInChI=1S/C62H39N7O/c1-3-13-43(14-4-1)67(44-15-5-2-6-16-44)45-23-27-55-50(36-45)51-37-47(69-57-17-7-9-19-59(57)70-60-20-10-8-18-58(60)69)24-28-56(51)68(55)46-22-26-49-48-25-21-40(34-52(48)61-62(53(49)38-46)66-33-32-65-61)41-29-31-64-54(35-41)42-12-11-30-63-39-42/h1-39H
InChIKeyQWXMPDRKMSYJMF-UHFFFAOYSA-N
MW898.04 g/mol
LogP16.20
Rot. Bonds7

About 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine

6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine (PubChem CID 118912209) has the molecular formula C62H39N7O and a molecular weight of 898.04 g/mol. Its IUPAC name is 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine.

Molecular Properties

Compound Name6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine
PubChem CID118912209
Molecular FormulaC62H39N7O
Molecular Weight898.04 g/mol
Exact Mass897.32
IUPAC Name6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2ccc3c4ccc(-c5ccnc(-c6cccnc6)c5)cc4c4nccnc4c3c2)cc1
InChIInChI=1S/C62H39N7O/c1-3-13-43(14-4-1)67(44-15-5-2-6-16-44)45-23-27-55-50(36-45)51-37-47(69-57-17-7-9-19-59(57)70-60-20-10-8-18-58(60)69)24-28-56(51)68(55)46-22-26-49-48-25-21-40(34-52(48)61-62(53(49)38-46)66-33-32-65-61)41-29-31-64-54(35-41)42-12-11-30-63-39-42/h1-39H
InChIKeyQWXMPDRKMSYJMF-UHFFFAOYSA-N
XLogP16.20
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.04
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine?
The IUPAC name of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine (CID 118912209) is 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine.
What is the SMILES notation for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine?
The canonical SMILES for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2ccc3c4ccc(-c5ccnc(-c6cccnc6)c5)cc4c4nccnc4c3c2)cc1.
What is the InChIKey of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine?
The InChIKey is QWXMPDRKMSYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7O/c1-3-13-43(14-4-1)67(44-15-5-2-6-16-44)45-23-27-55-50(36-45)51-37-47(69-57-17-7-9-19-59(57)70-60-20-10-8-18-58(60)69)24-28-56(51)68(55)46-22-26-49-48-25-21-40(34-52(48)61-62(53(49)38-46)66-33-32-65-61)41-29-31-64-54(35-41)42-12-11-30-63-39-42/h1-39H.
What are the key properties of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine?
6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine has a molecular weight of 898.04 g/mol, XLogP of 16.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine is sourced from PubChem (CID 118912209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).