4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline

C67H45N5 — CID 129303875

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C67H45N5/c1-4-14-46(15-5-1)48-24-32-53(33-25-48)69(54-34-26-49(27-35-54)47-16-6-2-7-17-47)55-36-28-50(29-37-55)51-30-38-56(39-31-51)70-63-22-12-10-20-58(63)60-41-40-57(44-66(60)70)72-65-43-42-61-59-21-11-13-23-64(59)71(52-18-8-3-9-19-52)67(61)62(65)45-68-72/h1-45H
InChIKeyMSFHDTABOBKOBJ-UHFFFAOYSA-N
MW920.13 g/mol
LogP17.69
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline (PubChem CID 129303875) has the molecular formula C67H45N5 and a molecular weight of 920.13 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline
PubChem CID129303875
Molecular FormulaC67H45N5
Molecular Weight920.13 g/mol
Exact Mass919.37
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C67H45N5/c1-4-14-46(15-5-1)48-24-32-53(33-25-48)69(54-34-26-49(27-35-54)47-16-6-2-7-17-47)55-36-28-50(29-37-55)51-30-38-56(39-31-51)70-63-22-12-10-20-58(63)60-41-40-57(44-66(60)70)72-65-43-42-61-59-21-11-13-23-64(59)71(52-18-8-3-9-19-52)67(61)62(65)45-68-72/h1-45H
InChIKeyMSFHDTABOBKOBJ-UHFFFAOYSA-N
XLogP17.69
TPSA30.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.13
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303871
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
CID 163617789
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline (CID 129303875) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline?
The InChIKey is MSFHDTABOBKOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N5/c1-4-14-46(15-5-1)48-24-32-53(33-25-48)69(54-34-26-49(27-35-54)47-16-6-2-7-17-47)55-36-28-50(29-37-55)51-30-38-56(39-31-51)70-63-22-12-10-20-58(63)60-41-40-57(44-66(60)70)72-65-43-42-61-59-21-11-13-23-64(59)71(52-18-8-3-9-19-52)67(61)62(65)45-68-72/h1-45H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline has a molecular weight of 920.13 g/mol, XLogP of 17.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 129303875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).