10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine

C54H34N4O — CID 58029109

IUPAC10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C54H34N4O/c1-3-15-35(16-4-1)55-44-22-10-8-20-40(44)43-33-37(27-30-47(43)55)57-46-24-12-9-21-42(46)53-50(57)32-29-41-39-19-7-11-23-45(39)58(54(41)53)38-28-31-49-52(34-38)59-51-26-14-13-25-48(51)56(49)36-17-5-2-6-18-36/h1-34H
InChIKeyURUVLLLRKVLZFR-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.55
Rot. Bonds4

About 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine

10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine (PubChem CID 58029109) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine
PubChem CID58029109
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C54H34N4O/c1-3-15-35(16-4-1)55-44-22-10-8-20-40(44)43-33-37(27-30-47(43)55)57-46-24-12-9-21-42(46)53-50(57)32-29-41-39-19-7-11-23-45(39)58(54(41)53)38-28-31-49-52(34-38)59-51-26-14-13-25-48(51)56(49)36-17-5-2-6-18-36/h1-34H
InChIKeyURUVLLLRKVLZFR-UHFFFAOYSA-N
XLogP14.55
TPSA27.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine?
The IUPAC name of 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine (CID 58029109) is 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine?
The canonical SMILES for 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)ccc32)cc1.
What is the InChIKey of 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine?
The InChIKey is URUVLLLRKVLZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-3-15-35(16-4-1)55-44-22-10-8-20-40(44)43-33-37(27-30-47(43)55)57-46-24-12-9-21-42(46)53-50(57)32-29-41-39-19-7-11-23-45(39)58(54(41)53)38-28-31-49-52(34-38)59-51-26-14-13-25-48(51)56(49)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine?
10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine has a molecular weight of 754.89 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine is sourced from PubChem (CID 58029109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).