N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline

C48H33N3O — CID 147912487

IUPACN,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-4-14-36(15-5-1)49(37-16-6-2-7-17-37)39-26-28-40(29-27-39)50-43-21-11-10-20-41(43)42-32-34(24-30-44(42)50)35-25-31-46-48(33-35)52-47-23-13-12-22-45(47)51(46)38-18-8-3-9-19-38/h1-33H
InChIKeyIGKHEZDNRINNEP-UHFFFAOYSA-N
MW667.81 g/mol
LogP13.50
Rot. Bonds6

About N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline

N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline (PubChem CID 147912487) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
PubChem CID147912487
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC NameN,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-4-14-36(15-5-1)49(37-16-6-2-7-17-37)39-26-28-40(29-27-39)50-43-21-11-10-20-41(43)42-32-34(24-30-44(42)50)35-25-31-46-48(33-35)52-47-23-13-12-22-45(47)51(46)38-18-8-3-9-19-38/h1-33H
InChIKeyIGKHEZDNRINNEP-UHFFFAOYSA-N
XLogP13.50
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 118441907

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline (CID 147912487) is N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline?
The InChIKey is IGKHEZDNRINNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-4-14-36(15-5-1)49(37-16-6-2-7-17-37)39-26-28-40(29-27-39)50-43-21-11-10-20-41(43)42-32-34(24-30-44(42)50)35-25-31-46-48(33-35)52-47-23-13-12-22-45(47)51(46)38-18-8-3-9-19-38/h1-33H.
What are the key properties of N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline?
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline has a molecular weight of 667.81 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline is sourced from PubChem (CID 147912487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).