3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole

C51H32N4 — CID 167027847

IUPAC3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
SMILESc1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4C5c4ccc5ccccc5c4)ccc32)nc1
InChIInChI=1S/C51H32N4/c1-2-11-33-28-36(19-18-32(33)10-1)50-41-15-4-3-12-38(41)43-31-37(22-23-42(43)50)54-46-16-7-5-13-39(46)44-29-34(20-24-48(44)54)35-21-25-49-45(30-35)40-14-6-8-17-47(40)55(49)51-52-26-9-27-53-51/h1-31,50H
InChIKeyPPZCOYLZLJCUPF-UHFFFAOYSA-N
MW700.85 g/mol
LogP12.65
Rot. Bonds4

About 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole

3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole (PubChem CID 167027847) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
PubChem CID167027847
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
SMILESc1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4C5c4ccc5ccccc5c4)ccc32)nc1
InChIInChI=1S/C51H32N4/c1-2-11-33-28-36(19-18-32(33)10-1)50-41-15-4-3-12-38(41)43-31-37(22-23-42(43)50)54-46-16-7-5-13-39(46)44-29-34(20-24-48(44)54)35-21-25-49-45(30-35)40-14-6-8-17-47(40)55(49)51-52-26-9-27-53-51/h1-31,50H
InChIKeyPPZCOYLZLJCUPF-UHFFFAOYSA-N
XLogP12.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
12-(7-naphthalen-2-yl-7H-benzo[c]fluoren-10-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159453518
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole (CID 167027847) is 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole is c1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4C5c4ccc5ccccc5c4)ccc32)nc1.
What is the InChIKey of 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The InChIKey is PPZCOYLZLJCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-11-33-28-36(19-18-32(33)10-1)50-41-15-4-3-12-38(41)43-31-37(22-23-42(43)50)54-46-16-7-5-13-39(46)44-29-34(20-24-48(44)54)35-21-25-49-45(30-35)40-14-6-8-17-47(40)55(49)51-52-26-9-27-53-51/h1-31,50H.
What are the key properties of 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole has a molecular weight of 700.85 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 167027847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).