N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)

C204H138N6O3 — CID 165079610

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine) (PubChem CID 165079610) has the molecular formula C204H138N6O3 and a molecular weight of 2721.39 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine).

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)
• PubChem CID: 165079610
• Molecular Formula: C204H138N6O3
• Molecular Weight: 2721.39 g/mol
• Exact Mass: 2719.08
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
• InChI: InChI=1S/3C68H46N2O/c2*1-67(2)56-27-12-9-23-50(56)54-40-45(32-36-57(54)67)69(46-34-39-63-55(41-46)51-24-11-15-30-62(51)70(63)44-20-7-4-8-21-44)47-33-37-60-65(42-47)71-64-31-16-14-29-59(64)68(60)58-28-13-10-22-49(58)53-26-17-25-52-48(35-38-61(68)66(52)53)43-18-5-3-6-19-43;1-67(2)56-27-12-9-22-49(56)51-35-32-46(41-61(51)67)69(45-34-39-63-55(40-45)52-24-11-15-30-62(52)70(63)44-20-7-4-8-21-44)47-33-37-59-65(42-47)71-64-31-16-14-29-58(64)68(59)57-28-13-10-23-50(57)54-26-17-25-53-48(36-38-60(68)66(53)54)43-18-5-3-6-19-43/h3*3-42H,1-2H3
• InChIKey: UWZVGEZIXQGAAD-UHFFFAOYSA-N
• XLogP: 53.55
• TPSA: 52.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2721.39
LogP ≤ 5	53.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine) (CID 165079610) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine).

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine) is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)?

The InChIKey is UWZVGEZIXQGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H46N2O/c2*1-67(2)56-27-12-9-23-50(56)54-40-45(32-36-57(54)67)69(46-34-39-63-55(41-46)51-24-11-15-30-62(51)70(63)44-20-7-4-8-21-44)47-33-37-60-65(42-47)71-64-31-16-14-29-59(64)68(60)58-28-13-10-22-49(58)53-26-17-25-52-48(35-38-61(68)66(52)53)43-18-5-3-6-19-43;1-67(2)56-27-12-9-22-49(56)51-35-32-46(41-61(51)67)69(45-34-39-63-55(40-45)52-24-11-15-30-62(52)70(63)44-20-7-4-8-21-44)47-33-37-59-65(42-47)71-64-31-16-14-29-58(64)68(59)57-28-13-10-23-50(57)54-26-17-25-53-48(36-38-60(68)66(53)54)43-18-5-3-6-19-43/h3*3-42H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)?

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine) has a molecular weight of 2721.39 g/mol, XLogP of 53.55, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine) is sourced from PubChem (CID 165079610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).